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Chemical ID: 6423511
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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