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Chemical ID: 4810979

Chemical ID:

4810979

Name [?]:

2-indolin-1-yl-7-methyl-7,8-dihydro-6H-quinazolin-5-one

SMILES [?]:

CC1Cc2c(cnc(n2)N3CCc4c3cccc4)C(=O)C1

InChi [?]:

InChI=1/C17H17N3O/c1-11-8-14-13(16(21)9-11)10-18-17(19-14)20-7-6-12-4-2-3-5-15(12)20/h2-5,10-11H,6-9H2,1H3

InChi Info:

AuxInfo=1/0/N:1,17,16,18,15,12,11,3,21,6,2,13,5,4,14,19,8,7,9,10,20/rA:21cCCCCCCNCNNCCCCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s11;s12;s10s13;d14;s15;d16;d13s17;s5;d19;s2s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₇N₃O
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	1

ZAP Information [?]

Total:	8.82458
Area:	455.098
Solvation:	-2.55286
Coulombic:	-25.9212

Bond Count [?]

All:	24
Single:	17
Double:	7
Rotors:	1
Chiral:	0
Rigid Segments:	2

Chemical Properties

Molecular Weight:	279.336
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	2.67
LogP (Chemaxon):	2.24

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value