6-methyl-2-(4-pyrrolidin-1-ylphenyl)quinoline-4-carboxylic acid

C21H20N2O2 — CID 168514407

IUPAC6-methyl-2-(4-pyrrolidin-1-ylphenyl)quinoline-4-carboxylic acid
SMILESCc1ccc2nc(-c3ccc(N4CCCC4)cc3)cc(C(=O)O)c2c1
InChIInChI=1S/C21H20N2O2/c1-14-4-9-19-17(12-14)18(21(24)25)13-20(22-19)15-5-7-16(8-6-15)23-10-2-3-11-23/h4-9,12-13H,2-3,10-11H2,1H3,(H,24,25)
InChIKeyMOUNYSSVXFMUHC-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.51
Rot. Bonds3

About 6-methyl-2-(4-pyrrolidin-1-ylphenyl)quinoline-4-carboxylic acid

6-methyl-2-(4-pyrrolidin-1-ylphenyl)quinoline-4-carboxylic acid (PubChem CID 168514407) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 6-methyl-2-(4-pyrrolidin-1-ylphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-(4-pyrrolidin-1-ylphenyl)quinoline-4-carboxylic acid
PubChem CID168514407
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name6-methyl-2-(4-pyrrolidin-1-ylphenyl)quinoline-4-carboxylic acid
SMILESCc1ccc2nc(-c3ccc(N4CCCC4)cc3)cc(C(=O)O)c2c1
InChIInChI=1S/C21H20N2O2/c1-14-4-9-19-17(12-14)18(21(24)25)13-20(22-19)15-5-7-16(8-6-15)23-10-2-3-11-23/h4-9,12-13H,2-3,10-11H2,1H3,(H,24,25)
InChIKeyMOUNYSSVXFMUHC-UHFFFAOYSA-N
XLogP4.51
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid
CID 3666895
2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid
CID 1225955
[2-(4-fluorophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone
CID 42749728
[2-(4-bromophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone
CID 17386031
[6-methyl-2-(4-propan-2-ylphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 4283982
[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methyl-2-pyridin-4-ylquinolin-4-yl)methanone
CID 17375510
6-methyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid
CID 1229845
2-[4-(furan-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid
CID 168527201
2-[4-[4,5-bis(methoxycarbonyl)-2,6-dihydro-1,3-oxazin-3-yl]phenyl]-6-methylquinoline-4-carboxylic acid
CID 168634437
6-methyl-2-(4-methylphenyl)-3-pyrrolidin-1-ylquinoline-4-carboxylic acid
CID 16643746
6-methyl-2-(1,3-thiazol-5-yl)quinoline-4-carboxylic acid
CID 113486957
2-[4-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]-6-methylquinoline-4-carboxylate
CID 7280598

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-pyrrolidin-1-ylphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 6-methyl-2-(4-pyrrolidin-1-ylphenyl)quinoline-4-carboxylic acid (CID 168514407) is 6-methyl-2-(4-pyrrolidin-1-ylphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-(4-pyrrolidin-1-ylphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-(4-pyrrolidin-1-ylphenyl)quinoline-4-carboxylic acid is Cc1ccc2nc(-c3ccc(N4CCCC4)cc3)cc(C(=O)O)c2c1.
What is the InChIKey of 6-methyl-2-(4-pyrrolidin-1-ylphenyl)quinoline-4-carboxylic acid?
The InChIKey is MOUNYSSVXFMUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-14-4-9-19-17(12-14)18(21(24)25)13-20(22-19)15-5-7-16(8-6-15)23-10-2-3-11-23/h4-9,12-13H,2-3,10-11H2,1H3,(H,24,25).
What are the key properties of 6-methyl-2-(4-pyrrolidin-1-ylphenyl)quinoline-4-carboxylic acid?
6-methyl-2-(4-pyrrolidin-1-ylphenyl)quinoline-4-carboxylic acid has a molecular weight of 332.40 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-pyrrolidin-1-ylphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 168514407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).