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Chemical ID: 5876214

CCCCN(C(CC)c1nc2ccccc2c(=O)n1c3cccc(c3)Cl)C(=O)c4ccccc4C

Chemical ID:

5876214

Name [?]:

N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxo-quinazolin-2-yl]propyl]-2-methyl-benzamide

SMILES [?]:

CCCCN(C(CC)c1nc2ccccc2c(=O)n1c3cccc(c3)Cl)C(=O)c4ccccc4C

InChi [?]:

InChI=1/C29H30ClN3O2/c1-4-6-18-32(28(34)23-15-8-7-12-20(23)3)26(5-2)27-31-25-17-10-9-16-24(25)29(35)33(27)22-14-11-13-21(30)19-22/h7-17,19,26H,4-6,18H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,8,35,2,7,3,32,31,14,13,22,33,23,21,30,15,12,4,25,34,24,20,29,16,11,6,9,27,17,26,10,5,19,28,18/rA:35cCCCCNCCCCNCCCCCCCONCCCCCCClCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s6;d9;s10;s11;d12;s13;d14;d11s15;s16;d17;s9s17;s19;s20;d21;s22;d23;d20s24;s24;s5;d27;s27;s29;d30;s31;d32;d29s33;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₃₀ClN₃O₂
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	1

ZAP Information [?]

Total:	14.1446
Area:	667.902
Solvation:	-2.55292
Coulombic:	-44.8775

Bond Count [?]

All:	38
Single:	26
Double:	12
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	488.02
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	6.96
LogP (Chemaxon):	6.68

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

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Chemical Mix	Source	External ID	Descriptor	Value