Chemical ID: 4747957

CCOC(=O)c1[nH]c(=O)c2ccccc2n1
Chemical ID:
4747957
Name [?]:
ethyl 4-oxo-3H-quinazoline-2-carboxylate
SMILES [?]:
CCOC(=O)c1[nH]c(=O)c2ccccc2n1
InChi [?]:
InChI=1/C11H10N2O3/c1-2-16-11(15)9-12-8-6-4-3-5-7(8)10(14)13-9/h3-6H,2H2,1H3,(H,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,12,13,11,14,10,15,6,8,4,16,7,9,5,3/rA:16nCCOCOCNCOCCCCCCN/rB:s1;s2;s3;d4;s4;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;d6s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10N2O3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.72814
Area:395.175
Solvation:-2.15124
Coulombic:-49.1134
Bond Count [?]
All:17
Single:11
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:218.209
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.07
LogP (Chemaxon):1.04

Name Annotations

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Descriptor Annotations

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