2-(3-chloroanilino)-6-methoxyquinoline-3-carboxylic acid

C17H13ClN2O3 — CID 10131496

IUPAC2-(3-chloroanilino)-6-methoxyquinoline-3-carboxylic acid
SMILESCOc1ccc2nc(Nc3cccc(Cl)c3)c(C(=O)O)cc2c1
InChIInChI=1S/C17H13ClN2O3/c1-23-13-5-6-15-10(7-13)8-14(17(21)22)16(20-15)19-12-4-2-3-11(18)9-12/h2-9H,1H3,(H,19,20)(H,21,22)
InChIKeyDKSGWUDBRNZMBU-UHFFFAOYSA-N
MW328.76 g/mol
LogP4.34
Rot. Bonds4

About 2-(3-chloroanilino)-6-methoxyquinoline-3-carboxylic acid

2-(3-chloroanilino)-6-methoxyquinoline-3-carboxylic acid (PubChem CID 10131496) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is 2-(3-chloroanilino)-6-methoxyquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-chloroanilino)-6-methoxyquinoline-3-carboxylic acid
PubChem CID10131496
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC Name2-(3-chloroanilino)-6-methoxyquinoline-3-carboxylic acid
SMILESCOc1ccc2nc(Nc3cccc(Cl)c3)c(C(=O)O)cc2c1
InChIInChI=1S/C17H13ClN2O3/c1-23-13-5-6-15-10(7-13)8-14(17(21)22)16(20-15)19-12-4-2-3-11(18)9-12/h2-9H,1H3,(H,19,20)(H,21,22)
InChIKeyDKSGWUDBRNZMBU-UHFFFAOYSA-N
XLogP4.34
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_acid_J(1)', 'substructure': 'N/A'}

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Related Compounds

2-(3-acetylanilino)-7-methoxyquinoline-3-carboxylic acid
CID 10449658
N-(3-chlorophenyl)-6-methoxy-2-methylquinolin-4-amine
CID 692374
1-(3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 727874
2-[[1-[[1-carboxy-2-(2-chloro-5-methoxyphenyl)ethyl]amino]-3-(2-chloro-5-methoxyphenyl)-1-oxopropan-2-yl]amino]-6-chloroquinoline-3-carboxylic acid
CID 67359244
4-(3-chloroanilino)pyrimidine-5-carboxylic acid
CID 28906082
N-(3-chlorophenyl)-5-methoxy-1H-indazol-3-amine
CID 24991698
4-(3-chloroanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109220984
2-fluoro-5-(3-methoxyanilino)benzoic acid
CID 82537034
5-chloro-2-(4-methoxyanilino)benzoic acid
CID 13371480
2-(3-chloroanilino)-2-(4-methoxyphenyl)acetic acid
CID 60990738
N-(3-chlorophenyl)-2-hydroxy-4-methoxybenzamide
CID 5274047
N-[4-(3-chloroanilino)phenyl]-2-(4-methoxyphenyl)acetamide
CID 112986980

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-6-methoxyquinoline-3-carboxylic acid?
The IUPAC name of 2-(3-chloroanilino)-6-methoxyquinoline-3-carboxylic acid (CID 10131496) is 2-(3-chloroanilino)-6-methoxyquinoline-3-carboxylic acid.
What is the SMILES notation for 2-(3-chloroanilino)-6-methoxyquinoline-3-carboxylic acid?
The canonical SMILES for 2-(3-chloroanilino)-6-methoxyquinoline-3-carboxylic acid is COc1ccc2nc(Nc3cccc(Cl)c3)c(C(=O)O)cc2c1.
What is the InChIKey of 2-(3-chloroanilino)-6-methoxyquinoline-3-carboxylic acid?
The InChIKey is DKSGWUDBRNZMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-23-13-5-6-15-10(7-13)8-14(17(21)22)16(20-15)19-12-4-2-3-11(18)9-12/h2-9H,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-(3-chloroanilino)-6-methoxyquinoline-3-carboxylic acid?
2-(3-chloroanilino)-6-methoxyquinoline-3-carboxylic acid has a molecular weight of 328.76 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-6-methoxyquinoline-3-carboxylic acid is sourced from PubChem (CID 10131496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).