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

C16H14N2O2 — CID 22024945

IUPAC4-methyl-1-(2-methylquinolin-4-yl)pyrrole-3-carboxylic acid
SMILESCc1cc(-n2cc(C)c(C(=O)O)c2)c2ccccc2n1
InChIInChI=1S/C16H14N2O2/c1-10-8-18(9-13(10)16(19)20)15-7-11(2)17-14-6-4-3-5-12(14)15/h3-9H,1-2H3,(H,19,20)
InChIKeyRRIMCTIMONRRKW-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.34
Rot. Bonds2

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

4-methyl-1-(2-methylquinolin-4-yl)pyrrole-3-carboxylic acid (PubChem CID 22024945) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-methyl-1-(2-methylquinolin-4-yl)pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(2-methylquinolin-4-yl)pyrrole-3-carboxylic acid
PubChem CID22024945
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name4-methyl-1-(2-methylquinolin-4-yl)pyrrole-3-carboxylic acid
SMILESCc1cc(-n2cc(C)c(C(=O)O)c2)c2ccccc2n1
InChIInChI=1S/C16H14N2O2/c1-10-8-18(9-13(10)16(19)20)15-7-11(2)17-14-6-4-3-5-12(14)15/h3-9H,1-2H3,(H,19,20)
InChIKeyRRIMCTIMONRRKW-UHFFFAOYSA-N
XLogP3.34
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
cyclobutanecarboxylic acid;2-methyl-4-pyrrolidin-1-ylquinoline
CID 158504598
methyl 4-methyl-1-quinolin-4-ylpyrrole-3-carboxylate
CID 22024954
5-methyl-1-(2-methylquinolin-4-yl)piperidine-3-carboxylic acid
CID 122106797
4-(2-methylquinolin-4-yl)-1H-pyrrole-3-carboxylic acid
CID 79235289
2-(2-methylquinolin-4-yl)oxybenzoic acid
CID 61395430
4-[4-(chloromethyl)imidazol-1-yl]-2-methylquinoline
CID 114204834
4-methyl-1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid
CID 63721046
N-(diaminomethylidene)-1-(2-methylquinolin-4-yl)indole-3-carboxamide
CID 10020317
2-methyl-N-piperidin-1-ylquinoline-4-carboxamide
CID 9271376
bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper
CID 59873950
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylquinolin-4-yl)pyrrole-3-carboxylic acid?
The IUPAC name of 4-methyl-1-(2-methylquinolin-4-yl)pyrrole-3-carboxylic acid (CID 22024945) is 4-methyl-1-(2-methylquinolin-4-yl)pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(2-methylquinolin-4-yl)pyrrole-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-(2-methylquinolin-4-yl)pyrrole-3-carboxylic acid is Cc1cc(-n2cc(C)c(C(=O)O)c2)c2ccccc2n1.
What is the InChIKey of 4-methyl-1-(2-methylquinolin-4-yl)pyrrole-3-carboxylic acid?
The InChIKey is RRIMCTIMONRRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-10-8-18(9-13(10)16(19)20)15-7-11(2)17-14-6-4-3-5-12(14)15/h3-9H,1-2H3,(H,19,20).
What are the key properties of 4-methyl-1-(2-methylquinolin-4-yl)pyrrole-3-carboxylic acid?
4-methyl-1-(2-methylquinolin-4-yl)pyrrole-3-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylquinolin-4-yl)pyrrole-3-carboxylic acid is sourced from PubChem (CID 22024945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).