4-(3-carboxylatoanilino)-6-methoxyquinoline-3-carboxylate

C18H12N2O5-2 — CID 7137761

IUPAC4-(3-carboxylatoanilino)-6-methoxyquinoline-3-carboxylate
SMILESCOc1ccc2ncc(C(=O)[O-])c(Nc3cccc(C(=O)[O-])c3)c2c1
InChIInChI=1S/C18H14N2O5/c1-25-12-5-6-15-13(8-12)16(14(9-19-15)18(23)24)20-11-4-2-3-10(7-11)17(21)22/h2-9H,1H3,(H,19,20)(H,21,22)(H,23,24)/p-2
InChIKeyVJTZFMINKLNGNA-UHFFFAOYSA-L
MW336.30 g/mol
LogP0.71
Rot. Bonds5

About 4-(3-carboxylatoanilino)-6-methoxyquinoline-3-carboxylate

4-(3-carboxylatoanilino)-6-methoxyquinoline-3-carboxylate (PubChem CID 7137761) has the molecular formula C18H12N2O5-2 and a molecular weight of 336.30 g/mol. Its IUPAC name is 4-(3-carboxylatoanilino)-6-methoxyquinoline-3-carboxylate.

Molecular Properties

Compound Name4-(3-carboxylatoanilino)-6-methoxyquinoline-3-carboxylate
PubChem CID7137761
Molecular FormulaC18H12N2O5-2
Molecular Weight336.30 g/mol
Exact Mass336.08
IUPAC Name4-(3-carboxylatoanilino)-6-methoxyquinoline-3-carboxylate
SMILESCOc1ccc2ncc(C(=O)[O-])c(Nc3cccc(C(=O)[O-])c3)c2c1
InChIInChI=1S/C18H14N2O5/c1-25-12-5-6-15-13(8-12)16(14(9-19-15)18(23)24)20-11-4-2-3-10(7-11)17(21)22/h2-9H,1H3,(H,19,20)(H,21,22)(H,23,24)/p-2
InChIKeyVJTZFMINKLNGNA-UHFFFAOYSA-L
XLogP0.71
TPSA114.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-(3-ethoxycarbonylanilino)-6-methoxyquinoline-3-carboxylate
CID 23885216
6-methoxy-4-(2-methylanilino)quinoline-3-carboxylate
CID 4053129
3-[(3-ethoxycarbonyl-6-methoxyquinolin-4-yl)amino]benzoic acid;hydrochloride
CID 2790549
4-(3-bromo-4-methylanilino)quinoline-3,6-dicarboxylate
CID 7719106
4-(4-fluoroanilino)-6-methoxyquinoline-3-carboxylic acid
CID 7137766
6-methoxy-4-(3-methoxyanilino)quinoline-3-carbonitrile
CID 50768424
3-[(6-ethoxy-3-ethoxycarbonylquinolin-4-yl)amino]benzoic acid
CID 1187193
[6-fluoro-4-(3-methoxyanilino)quinolin-3-yl]-piperidin-1-ylmethanone
CID 53001502
4-(3-methoxyanilino)-6-N-(6-methoxy-3-pyridinyl)quinoline-3,6-dicarboxamide
CID 11374151
ethyl 4-(3-methoxyanilino)quinoline-3-carboxylate
CID 709089
4-(3-acetylanilino)quinoline-3,6-dicarboxylic acid
CID 91206035
4-(2-chloroanilino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride
CID 18590638

Frequently Asked Questions

What is the IUPAC name of 4-(3-carboxylatoanilino)-6-methoxyquinoline-3-carboxylate?
The IUPAC name of 4-(3-carboxylatoanilino)-6-methoxyquinoline-3-carboxylate (CID 7137761) is 4-(3-carboxylatoanilino)-6-methoxyquinoline-3-carboxylate.
What is the SMILES notation for 4-(3-carboxylatoanilino)-6-methoxyquinoline-3-carboxylate?
The canonical SMILES for 4-(3-carboxylatoanilino)-6-methoxyquinoline-3-carboxylate is COc1ccc2ncc(C(=O)[O-])c(Nc3cccc(C(=O)[O-])c3)c2c1.
What is the InChIKey of 4-(3-carboxylatoanilino)-6-methoxyquinoline-3-carboxylate?
The InChIKey is VJTZFMINKLNGNA-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H14N2O5/c1-25-12-5-6-15-13(8-12)16(14(9-19-15)18(23)24)20-11-4-2-3-10(7-11)17(21)22/h2-9H,1H3,(H,19,20)(H,21,22)(H,23,24)/p-2.
What are the key properties of 4-(3-carboxylatoanilino)-6-methoxyquinoline-3-carboxylate?
4-(3-carboxylatoanilino)-6-methoxyquinoline-3-carboxylate has a molecular weight of 336.30 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carboxylatoanilino)-6-methoxyquinoline-3-carboxylate is sourced from PubChem (CID 7137761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).