Chemical ID: 6423511

CCOC(=O)c1cnc2ccccc2c1N
Chemical ID:
6423511
Name [?]:
ethyl 4-aminoquinoline-3-carboxylate
SMILES [?]:
CCOC(=O)c1cnc2ccccc2c1N
InChi [?]:
InChI=1/C12H12N2O2/c1-2-16-12(15)9-7-14-10-6-4-3-5-8(10)11(9)13/h3-7H,2H2,1H3,(H2,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,12,11,13,10,7,14,6,9,15,4,16,8,5,3/rA:16nCCOCOCCNCCCCCCCN/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;d10;s11;d12;d9s13;d6s14;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12N2O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.00495
Area:389.969
Solvation:-1.74426
Coulombic:-42.272
Bond Count [?]
All:17
Single:11
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:216.236
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.1
LogP (Chemaxon):1.89

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Descriptor Annotations

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