4-(2-methylquinolin-4-yl)-1H-pyrrole-3-carboxylic acid

C15H12N2O2 — CID 79235289

IUPAC4-(2-methylquinolin-4-yl)-1H-pyrrole-3-carboxylic acid
SMILESCc1cc(-c2c[nH]cc2C(=O)O)c2ccccc2n1
InChIInChI=1S/C15H12N2O2/c1-9-6-11(10-4-2-3-5-14(10)17-9)12-7-16-8-13(12)15(18)19/h2-8,16H,1H3,(H,18,19)
InChIKeyQXXKHVUNTPPPQN-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.24
Rot. Bonds2

About 4-(2-methylquinolin-4-yl)-1H-pyrrole-3-carboxylic acid

4-(2-methylquinolin-4-yl)-1H-pyrrole-3-carboxylic acid (PubChem CID 79235289) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-(2-methylquinolin-4-yl)-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-methylquinolin-4-yl)-1H-pyrrole-3-carboxylic acid
PubChem CID79235289
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name4-(2-methylquinolin-4-yl)-1H-pyrrole-3-carboxylic acid
SMILESCc1cc(-c2c[nH]cc2C(=O)O)c2ccccc2n1
InChIInChI=1S/C15H12N2O2/c1-9-6-11(10-4-2-3-5-14(10)17-9)12-7-16-8-13(12)15(18)19/h2-8,16H,1H3,(H,18,19)
InChIKeyQXXKHVUNTPPPQN-UHFFFAOYSA-N
XLogP3.24
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(2-methylquinolin-4-yl)benzamide
CID 69135546
2-(2-methylquinolin-4-yl)oxybenzoic acid
CID 61395430
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
4-methyl-1-(2-methylquinolin-4-yl)pyrrole-3-carboxylic acid
CID 22024945
(4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 60634828
2-[3-(2-methylquinolin-4-yl)phenyl]acetic acid
CID 155909496
4-(2,5-dichlorophenyl)-2-methylquinoline
CID 118801749
1-(2-methylquinolin-4-yl)prop-2-yn-1-one
CID 105108238
ethyl 5-(2-methylquinolin-4-yl)-1,3,4-oxadiazole-2-carboxylate
CID 115586995
bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper
CID 59873950
3-[(2-methylquinolin-4-yl)amino]benzoic acid
CID 43419955
6-(2-chlorophenyl)-2-methylquinoline-4-carboxylic acid
CID 143413176

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylquinolin-4-yl)-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-(2-methylquinolin-4-yl)-1H-pyrrole-3-carboxylic acid (CID 79235289) is 4-(2-methylquinolin-4-yl)-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-(2-methylquinolin-4-yl)-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-(2-methylquinolin-4-yl)-1H-pyrrole-3-carboxylic acid is Cc1cc(-c2c[nH]cc2C(=O)O)c2ccccc2n1.
What is the InChIKey of 4-(2-methylquinolin-4-yl)-1H-pyrrole-3-carboxylic acid?
The InChIKey is QXXKHVUNTPPPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-9-6-11(10-4-2-3-5-14(10)17-9)12-7-16-8-13(12)15(18)19/h2-8,16H,1H3,(H,18,19).
What are the key properties of 4-(2-methylquinolin-4-yl)-1H-pyrrole-3-carboxylic acid?
4-(2-methylquinolin-4-yl)-1H-pyrrole-3-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylquinolin-4-yl)-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 79235289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).