2-[2-[(3-methylquinolin-4-yl)amino]-2-oxoethyl]benzoic acid

C19H16N2O3 — CID 10471239

IUPAC2-[2-[(3-methylquinolin-4-yl)amino]-2-oxoethyl]benzoic acid
SMILESCc1cnc2ccccc2c1NC(=O)Cc1ccccc1C(=O)O
InChIInChI=1S/C19H16N2O3/c1-12-11-20-16-9-5-4-8-15(16)18(12)21-17(22)10-13-6-2-3-7-14(13)19(23)24/h2-9,11H,10H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyWGOXTQJNBPSQSE-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.42
Rot. Bonds4

About 2-[2-[(3-methylquinolin-4-yl)amino]-2-oxoethyl]benzoic acid

2-[2-[(3-methylquinolin-4-yl)amino]-2-oxoethyl]benzoic acid (PubChem CID 10471239) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-[2-[(3-methylquinolin-4-yl)amino]-2-oxoethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[(3-methylquinolin-4-yl)amino]-2-oxoethyl]benzoic acid
PubChem CID10471239
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name2-[2-[(3-methylquinolin-4-yl)amino]-2-oxoethyl]benzoic acid
SMILESCc1cnc2ccccc2c1NC(=O)Cc1ccccc1C(=O)O
InChIInChI=1S/C19H16N2O3/c1-12-11-20-16-9-5-4-8-15(16)18(12)21-17(22)10-13-6-2-3-7-14(13)19(23)24/h2-9,11H,10H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyWGOXTQJNBPSQSE-UHFFFAOYSA-N
XLogP3.42
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(2-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]benzoic acid
CID 10591844
2-[2-(4-methylanilino)-2-oxoethyl]benzoic acid
CID 12558883
2-[2-(2,6-dibromoanilino)-2-oxoethyl]benzoic acid
CID 107596792
2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzoic acid
CID 104601339
2-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-2-oxoethyl]benzoic acid
CID 113431532
2-[2-[(2-methylpyrimidin-4-yl)methylamino]-2-oxoethyl]benzoic acid
CID 115923726
2-[(quinazolin-4-ylamino)methyl]benzoic acid
CID 66776604
2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]benzoic acid
CID 104601623
2-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzoic acid
CID 115923659
5-hydroxy-2-[[2-(2-methylphenyl)acetyl]amino]benzoic acid
CID 61406202
4-(2-methoxyethylamino)quinoline-3-carboxylic acid
CID 61340793
2-[2-[(5-bromoquinolin-8-yl)amino]-2-oxoethyl]benzoic acid
CID 56761360

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-methylquinolin-4-yl)amino]-2-oxoethyl]benzoic acid?
The IUPAC name of 2-[2-[(3-methylquinolin-4-yl)amino]-2-oxoethyl]benzoic acid (CID 10471239) is 2-[2-[(3-methylquinolin-4-yl)amino]-2-oxoethyl]benzoic acid.
What is the SMILES notation for 2-[2-[(3-methylquinolin-4-yl)amino]-2-oxoethyl]benzoic acid?
The canonical SMILES for 2-[2-[(3-methylquinolin-4-yl)amino]-2-oxoethyl]benzoic acid is Cc1cnc2ccccc2c1NC(=O)Cc1ccccc1C(=O)O.
What is the InChIKey of 2-[2-[(3-methylquinolin-4-yl)amino]-2-oxoethyl]benzoic acid?
The InChIKey is WGOXTQJNBPSQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-12-11-20-16-9-5-4-8-15(16)18(12)21-17(22)10-13-6-2-3-7-14(13)19(23)24/h2-9,11H,10H2,1H3,(H,23,24)(H,20,21,22).
What are the key properties of 2-[2-[(3-methylquinolin-4-yl)amino]-2-oxoethyl]benzoic acid?
2-[2-[(3-methylquinolin-4-yl)amino]-2-oxoethyl]benzoic acid has a molecular weight of 320.35 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-methylquinolin-4-yl)amino]-2-oxoethyl]benzoic acid is sourced from PubChem (CID 10471239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).