Chemical ID: 4898422

c1ccc2c(c1)CCN2c3ncc4c(n3)CCCC4=O
Chemical ID:
4898422
Name [?]:
2-indolin-1-yl-7,8-dihydro-6H-quinazolin-5-one
SMILES [?]:
c1ccc2c(c1)CCN2c3ncc4c(n3)CCCC4=O
InChi [?]:
InChI=1/C16H15N3O/c20-15-7-3-5-13-12(15)10-17-16(18-13)19-9-8-11-4-1-2-6-14(11)19/h1-2,4,6,10H,3,5,7-9H2
InChi Info:
AuxInfo=1/0/N:1,2,17,6,16,3,18,7,8,12,5,13,14,4,19,10,11,15,9,20/rA:20nCCCCCCCCNCNCCCNCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s17;s13s18;d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15N3O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.31293
Area:436.612
Solvation:-2.60238
Coulombic:-25.5318
Bond Count [?]
All:23
Single:16
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:265.31
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.16
LogP (Chemaxon):1.91

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Descriptor Annotations

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