7-methoxy-2-pyrrolidin-2-ylquinoline-4-carboxylic acid

C15H16N2O3 — CID 84641748

IUPAC7-methoxy-2-pyrrolidin-2-ylquinoline-4-carboxylic acid
SMILESCOc1ccc2c(C(=O)O)cc(C3CCCN3)nc2c1
InChIInChI=1S/C15H16N2O3/c1-20-9-4-5-10-11(15(18)19)8-14(17-13(10)7-9)12-3-2-6-16-12/h4-5,7-8,12,16H,2-3,6H2,1H3,(H,18,19)
InChIKeyYYTKWVWRMVYLRO-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.37
Rot. Bonds3

About 7-methoxy-2-pyrrolidin-2-ylquinoline-4-carboxylic acid

7-methoxy-2-pyrrolidin-2-ylquinoline-4-carboxylic acid (PubChem CID 84641748) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 7-methoxy-2-pyrrolidin-2-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-2-pyrrolidin-2-ylquinoline-4-carboxylic acid
PubChem CID84641748
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name7-methoxy-2-pyrrolidin-2-ylquinoline-4-carboxylic acid
SMILESCOc1ccc2c(C(=O)O)cc(C3CCCN3)nc2c1
InChIInChI=1S/C15H16N2O3/c1-20-9-4-5-10-11(15(18)19)8-14(17-13(10)7-9)12-3-2-6-16-12/h4-5,7-8,12,16H,2-3,6H2,1H3,(H,18,19)
InChIKeyYYTKWVWRMVYLRO-UHFFFAOYSA-N
XLogP2.37
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyrrolidin-2-ylbenzo[g]quinoline-4-carboxylic acid
CID 134103584
6-ethyl-2-pyrrolidin-2-ylquinoline-4-carboxylic acid
CID 84641479
6-methoxy-2-piperidin-4-ylquinoline-4-carboxylic acid
CID 84643635
2-(azepan-2-yl)-5-methoxybenzoic acid
CID 12784739
7-methoxy-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoline-4-carboxamide
CID 119071112
4-methoxy-2-pyrrolidin-2-ylquinoline
CID 3320463
5-methoxy-2-pyrrolidin-2-yl-1,3-benzoxazole
CID 82230801
4-methoxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoic acid
CID 103871126
7-methoxy-2-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxylic acid
CID 18073526
6-methoxy-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 83857632
(2S)-2-(6-methoxynaphthalen-2-yl)pyrrolidine;hydrochloride
CID 171196228
6-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 84742664

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-pyrrolidin-2-ylquinoline-4-carboxylic acid?
The IUPAC name of 7-methoxy-2-pyrrolidin-2-ylquinoline-4-carboxylic acid (CID 84641748) is 7-methoxy-2-pyrrolidin-2-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 7-methoxy-2-pyrrolidin-2-ylquinoline-4-carboxylic acid?
The canonical SMILES for 7-methoxy-2-pyrrolidin-2-ylquinoline-4-carboxylic acid is COc1ccc2c(C(=O)O)cc(C3CCCN3)nc2c1.
What is the InChIKey of 7-methoxy-2-pyrrolidin-2-ylquinoline-4-carboxylic acid?
The InChIKey is YYTKWVWRMVYLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-20-9-4-5-10-11(15(18)19)8-14(17-13(10)7-9)12-3-2-6-16-12/h4-5,7-8,12,16H,2-3,6H2,1H3,(H,18,19).
What are the key properties of 7-methoxy-2-pyrrolidin-2-ylquinoline-4-carboxylic acid?
7-methoxy-2-pyrrolidin-2-ylquinoline-4-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-pyrrolidin-2-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 84641748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).