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Chemical ID: 5875497

CCC(c1nc2ccccc2c(=O)n1c3ccc(c(c3)C)C)N(CC)C(=O)c4ccc5ccccc5c4

Chemical ID:

5875497

Name [?]:

N-[1-[3-(3,4-dimethylphenyl)-4-oxo-quinazolin-2-yl]propyl]-N-ethyl-naphthalene-2-carboxamide

SMILES [?]:

CCC(c1nc2ccccc2c(=O)n1c3ccc(c(c3)C)C)N(CC)C(=O)c4ccc5ccccc5c4

InChi [?]:

InChI=1/C32H31N3O2/c1-5-29(34(6-2)31(36)25-17-16-23-11-7-8-12-24(23)20-25)30-33-28-14-10-9-13-27(28)32(37)35(30)26-18-15-21(3)22(4)19-26/h7-20,29H,5-6H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,25,22,21,2,24,33,34,9,8,32,35,10,7,17,30,29,16,20,37,18,19,31,36,28,15,11,6,3,4,26,12,5,23,14,27,13/rA:37cCCCCNCCCCCCCONCCCCCCCCNCCCOCCCCCCCCCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;s11;d12;s4s12;s14;s15;d16;s17;d18;d15s19;s19;s18;s3;s23;s24;s23;d26;s26;s28;d29;s30;s31;d32;s33;d34;d31s35;d28s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₂H₃₁N₃O₂
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	1

ZAP Information [?]

Total:	14.5072
Area:	692.243
Solvation:	-2.79886
Coulombic:	-44.3299

Bond Count [?]

All:	41
Single:	27
Double:	14
Rotors:	7
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	489.608
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	7.12
LogP (Chemaxon):	6.77

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value