7-chloro-8-methyl-4-(2-phenylethylamino)quinoline-3-carboxylic acid

C19H17ClN2O2 — CID 2241674

IUPAC7-chloro-8-methyl-4-(2-phenylethylamino)quinoline-3-carboxylic acid
SMILESCc1c(Cl)ccc2c(NCCc3ccccc3)c(C(=O)O)cnc12
InChIInChI=1S/C19H17ClN2O2/c1-12-16(20)8-7-14-17(12)22-11-15(19(23)24)18(14)21-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,21,22)(H,23,24)
InChIKeyFQCHLWUSULJGOR-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.55
Rot. Bonds5

About 7-chloro-8-methyl-4-(2-phenylethylamino)quinoline-3-carboxylic acid

7-chloro-8-methyl-4-(2-phenylethylamino)quinoline-3-carboxylic acid (PubChem CID 2241674) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 7-chloro-8-methyl-4-(2-phenylethylamino)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-chloro-8-methyl-4-(2-phenylethylamino)quinoline-3-carboxylic acid
PubChem CID2241674
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name7-chloro-8-methyl-4-(2-phenylethylamino)quinoline-3-carboxylic acid
SMILESCc1c(Cl)ccc2c(NCCc3ccccc3)c(C(=O)O)cnc12
InChIInChI=1S/C19H17ClN2O2/c1-12-16(20)8-7-14-17(12)22-11-15(19(23)24)18(14)21-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,21,22)(H,23,24)
InChIKeyFQCHLWUSULJGOR-UHFFFAOYSA-N
XLogP4.55
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Quinclorac
CID 91739
Glafenine
CID 3474
Quinmerac
CID 91749
7-Chloroquinoline-3,8-dicarboxylic acid
CID 13309794
Ethyl 6-chloro-4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate
CID 1643514
Glafenine hydrochloride
CID 3085326
1-(8-Hydroxymethyl-4-o-tolylamino-quinolin-3-yl)-2-methyl-propan-1-one
CID 10246289
3-Butyryl-4-(2-methylphenylamino)-8-hydroxymethylquinoline
CID 10427010
3-Butyryl-4-(2-methylphenylamino)-8-(1-hydroxyethyl)quinoline
CID 11725323
Methyl 3-butyryl-4-(2-methylphenylamino)quinoline-8-carboxylate
CID 11726157
3-[[[(1R)-1-(3-chlorophenyl)ethyl]-(quinoline-3-carbonyl)amino]methyl]benzoic acid
CID 68288092
4-[(7-Chloroquinolin-4-yl)amino]benzoic acid
CID 686283

Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-methyl-4-(2-phenylethylamino)quinoline-3-carboxylic acid?
The IUPAC name of 7-chloro-8-methyl-4-(2-phenylethylamino)quinoline-3-carboxylic acid (CID 2241674) is 7-chloro-8-methyl-4-(2-phenylethylamino)quinoline-3-carboxylic acid.
What is the SMILES notation for 7-chloro-8-methyl-4-(2-phenylethylamino)quinoline-3-carboxylic acid?
The canonical SMILES for 7-chloro-8-methyl-4-(2-phenylethylamino)quinoline-3-carboxylic acid is Cc1c(Cl)ccc2c(NCCc3ccccc3)c(C(=O)O)cnc12.
What is the InChIKey of 7-chloro-8-methyl-4-(2-phenylethylamino)quinoline-3-carboxylic acid?
The InChIKey is FQCHLWUSULJGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-12-16(20)8-7-14-17(12)22-11-15(19(23)24)18(14)21-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 7-chloro-8-methyl-4-(2-phenylethylamino)quinoline-3-carboxylic acid?
7-chloro-8-methyl-4-(2-phenylethylamino)quinoline-3-carboxylic acid has a molecular weight of 340.81 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-methyl-4-(2-phenylethylamino)quinoline-3-carboxylic acid is sourced from PubChem (CID 2241674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).