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Chemical ID: 5876147

CCCN(C(C)c1nc2cc(ccc2c(=O)n1c3ccc(cc3)C)Cl)C(=O)c4ccccc4C

Chemical ID:

5876147

Name [?]:

N-[1-[7-chloro-4-oxo-3-(p-tolyl)quinazolin-2-yl]ethyl]-2-methyl-N-propyl-benzamide

SMILES [?]:

CCCN(C(C)c1nc2cc(ccc2c(=O)n1c3ccc(cc3)C)Cl)C(=O)c4ccccc4C

InChi [?]:

InChI=1/C28H28ClN3O2/c1-5-16-31(27(33)23-9-7-6-8-19(23)3)20(4)26-30-25-17-21(29)12-15-24(25)28(34)32(26)22-13-10-18(2)11-14-22/h6-15,17,20H,5,16H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,24,34,6,2,31,30,32,29,20,22,12,19,23,13,3,10,21,33,5,11,18,28,14,9,7,26,15,25,8,4,17,27,16/E:(10,11)(13,14)/rA:34cCCCNCCCNCCCCCCCONCCCCCCCClCOCCCCCCC/rB:s1;s2;s3;s4;s5;s5;d7;s8;s9;d10;s11;d12;d9s13;s14;d15;s7s15;s17;s18;d19;s20;d21;d18s22;s21;s11;s4;d26;s26;s28;d29;s30;d31;d28s32;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₂₈ClN₃O₂
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	13.6889
Area:	658.047
Solvation:	-2.76227
Coulombic:	-43.4419

Bond Count [?]

All:	37
Single:	25
Double:	12
Rotors:	7
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	473.994
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	6.47
LogP (Chemaxon):	6.28

Name Annotations

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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