3-[(3-carboxy-7-chloro-8-methylquinolin-4-yl)amino]phenolate

C17H12ClN2O3- — CID 54678751

IUPAC3-[(3-carboxy-7-chloro-8-methylquinolin-4-yl)amino]phenolate
SMILESCc1c(Cl)ccc2c(Nc3cccc([O-])c3)c(C(=O)O)cnc12
InChIInChI=1S/C17H13ClN2O3/c1-9-14(18)6-5-12-15(9)19-8-13(17(22)23)16(12)20-10-3-2-4-11(21)7-10/h2-8,21H,1H3,(H,19,20)(H,22,23)/p-1
InChIKeyZXRQZQZRKPWJNW-UHFFFAOYSA-M
MW327.75 g/mol
LogP3.71
Rot. Bonds3

About 3-[(3-carboxy-7-chloro-8-methylquinolin-4-yl)amino]phenolate

3-[(3-carboxy-7-chloro-8-methylquinolin-4-yl)amino]phenolate (PubChem CID 54678751) has the molecular formula C17H12ClN2O3- and a molecular weight of 327.75 g/mol. Its IUPAC name is 3-[(3-carboxy-7-chloro-8-methylquinolin-4-yl)amino]phenolate.

Molecular Properties

Compound Name3-[(3-carboxy-7-chloro-8-methylquinolin-4-yl)amino]phenolate
PubChem CID54678751
Molecular FormulaC17H12ClN2O3-
Molecular Weight327.75 g/mol
Exact Mass327.05
IUPAC Name3-[(3-carboxy-7-chloro-8-methylquinolin-4-yl)amino]phenolate
SMILESCc1c(Cl)ccc2c(Nc3cccc([O-])c3)c(C(=O)O)cnc12
InChIInChI=1S/C17H13ClN2O3/c1-9-14(18)6-5-12-15(9)19-8-13(17(22)23)16(12)20-10-3-2-4-11(21)7-10/h2-8,21H,1H3,(H,19,20)(H,22,23)/p-1
InChIKeyZXRQZQZRKPWJNW-UHFFFAOYSA-M
XLogP3.71
TPSA85.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.75
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(3-carboxy-7-chloro-8-methylquinolin-4-yl)amino]phenolate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-carboxy-7-chloro-8-methylquinolin-4-yl)amino]phenolate
CID 54721977
7-chloro-8-methyl-4-(2-phenylethylamino)quinoline-3-carboxylic acid
CID 2241674
7-chloro-4-(3-hydroxypropylamino)-8-methylquinoline-3-carboxylic acid
CID 7137819
6,8-difluoro-4-(3-methylanilino)quinoline-3-carboxylic acid
CID 23239670
7-chloro-4-[4-(dimethylamino)anilino]-8-methylquinoline-3-carboxylate
CID 2241668
7-chloro-4-(2-ethylanilino)-8-methylquinoline-3-carboxylate
CID 2241646
ethyl 7-chloro-4-(4-ethoxyanilino)-8-methylquinoline-3-carboxylate
CID 1183948
ethyl 7-chloro-4-(4-methoxyanilino)-8-methylquinoline-3-carboxylate
CID 1183946
5,6-dichloro-4-(3-chloroanilino)pyridine-3-carboxylic acid
CID 118412418
ethyl 4-anilino-8-chloroquinoline-3-carboxylate
CID 728783
7-chloro-8-methyl-4-(2-propoxyanilino)quinoline-3-carboxylate
CID 7137814
2-(3,4-dichloroanilino)-4-methylpyrimidine-5-carboxylic acid
CID 83182017

Frequently Asked Questions

What is the IUPAC name of 3-[(3-carboxy-7-chloro-8-methylquinolin-4-yl)amino]phenolate?
The IUPAC name of 3-[(3-carboxy-7-chloro-8-methylquinolin-4-yl)amino]phenolate (CID 54678751) is 3-[(3-carboxy-7-chloro-8-methylquinolin-4-yl)amino]phenolate.
What is the SMILES notation for 3-[(3-carboxy-7-chloro-8-methylquinolin-4-yl)amino]phenolate?
The canonical SMILES for 3-[(3-carboxy-7-chloro-8-methylquinolin-4-yl)amino]phenolate is Cc1c(Cl)ccc2c(Nc3cccc([O-])c3)c(C(=O)O)cnc12.
What is the InChIKey of 3-[(3-carboxy-7-chloro-8-methylquinolin-4-yl)amino]phenolate?
The InChIKey is ZXRQZQZRKPWJNW-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H13ClN2O3/c1-9-14(18)6-5-12-15(9)19-8-13(17(22)23)16(12)20-10-3-2-4-11(21)7-10/h2-8,21H,1H3,(H,19,20)(H,22,23)/p-1.
What are the key properties of 3-[(3-carboxy-7-chloro-8-methylquinolin-4-yl)amino]phenolate?
3-[(3-carboxy-7-chloro-8-methylquinolin-4-yl)amino]phenolate has a molecular weight of 327.75 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-carboxy-7-chloro-8-methylquinolin-4-yl)amino]phenolate is sourced from PubChem (CID 54678751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).