8-methoxy-4-pyrrolidin-1-ylquinoline-3-carboxylic acid

C15H16N2O3 — CID 39732432

IUPAC8-methoxy-4-pyrrolidin-1-ylquinoline-3-carboxylic acid
SMILESCOc1cccc2c(N3CCCC3)c(C(=O)O)cnc12
InChIInChI=1S/C15H16N2O3/c1-20-12-6-4-5-10-13(12)16-9-11(15(18)19)14(10)17-7-2-3-8-17/h4-6,9H,2-3,7-8H2,1H3,(H,18,19)
InChIKeyYRPFDWBGBDCTCD-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.54
Rot. Bonds3

About 8-methoxy-4-pyrrolidin-1-ylquinoline-3-carboxylic acid

8-methoxy-4-pyrrolidin-1-ylquinoline-3-carboxylic acid (PubChem CID 39732432) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 8-methoxy-4-pyrrolidin-1-ylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-methoxy-4-pyrrolidin-1-ylquinoline-3-carboxylic acid
PubChem CID39732432
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name8-methoxy-4-pyrrolidin-1-ylquinoline-3-carboxylic acid
SMILESCOc1cccc2c(N3CCCC3)c(C(=O)O)cnc12
InChIInChI=1S/C15H16N2O3/c1-20-12-6-4-5-10-13(12)16-9-11(15(18)19)14(10)17-7-2-3-8-17/h4-6,9H,2-3,7-8H2,1H3,(H,18,19)
InChIKeyYRPFDWBGBDCTCD-UHFFFAOYSA-N
XLogP2.54
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-methoxy-4-pyrrolidin-1-ylquinoline-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-chloro-4-pyrrolidin-1-ylquinoline-3-carboxylic acid
CID 39732450
4-chloro-8-methoxyquinoline-3-carboxylic acid;hydrochloride
CID 67617550
ethyl 4-[4-(2-ethoxyphenyl)piperazin-1-yl]-8-methoxyquinoline-3-carboxylate
CID 162649213
ethyl 8-methoxy-4-[4-(2-methylphenyl)piperazin-1-yl]quinoline-3-carboxylate
CID 162647102
ethyl 8-methoxy-4-[4-(4-nitrophenyl)piperazin-1-yl]quinoline-3-carboxylate
CID 46498764
1-(8-methoxy-3-methylquinolin-4-yl)-5-methylpiperidine-3-carboxylic acid
CID 122106571
4-(4-methylpiperazin-4-ium-1-yl)-8-(trifluoromethyl)quinoline-3-carboxylic acid
CID 7749059
N-[1-(8-methoxy-3-methylquinolin-4-yl)piperidin-3-yl]propanamide
CID 119044389
8-methoxyquinazoline-4-carboxylic acid
CID 105455920
N-[[(3R)-1-(8-methoxy-3-methylquinolin-4-yl)piperidin-3-yl]methyl]butanamide
CID 124726200
[4-(azepan-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone
CID 20882559
(2S)-1-(8-methoxyquinolin-4-yl)pyrrolidine-2-carboxylic acid
CID 122059647

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4-pyrrolidin-1-ylquinoline-3-carboxylic acid?
The IUPAC name of 8-methoxy-4-pyrrolidin-1-ylquinoline-3-carboxylic acid (CID 39732432) is 8-methoxy-4-pyrrolidin-1-ylquinoline-3-carboxylic acid.
What is the SMILES notation for 8-methoxy-4-pyrrolidin-1-ylquinoline-3-carboxylic acid?
The canonical SMILES for 8-methoxy-4-pyrrolidin-1-ylquinoline-3-carboxylic acid is COc1cccc2c(N3CCCC3)c(C(=O)O)cnc12.
What is the InChIKey of 8-methoxy-4-pyrrolidin-1-ylquinoline-3-carboxylic acid?
The InChIKey is YRPFDWBGBDCTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-20-12-6-4-5-10-13(12)16-9-11(15(18)19)14(10)17-7-2-3-8-17/h4-6,9H,2-3,7-8H2,1H3,(H,18,19).
What are the key properties of 8-methoxy-4-pyrrolidin-1-ylquinoline-3-carboxylic acid?
8-methoxy-4-pyrrolidin-1-ylquinoline-3-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4-pyrrolidin-1-ylquinoline-3-carboxylic acid is sourced from PubChem (CID 39732432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).