6-pyrrolidin-1-ylquinoline-2-carboxylic acid

C14H14N2O2 — CID 82243885

IUPAC6-pyrrolidin-1-ylquinoline-2-carboxylic acid
SMILESO=C(O)c1ccc2cc(N3CCCC3)ccc2n1
InChIInChI=1S/C14H14N2O2/c17-14(18)13-5-3-10-9-11(4-6-12(10)15-13)16-7-1-2-8-16/h3-6,9H,1-2,7-8H2,(H,17,18)
InChIKeyBVZGYVCVEQZTGH-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.53
Rot. Bonds2

About 6-pyrrolidin-1-ylquinoline-2-carboxylic acid

6-pyrrolidin-1-ylquinoline-2-carboxylic acid (PubChem CID 82243885) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 6-pyrrolidin-1-ylquinoline-2-carboxylic acid.

Molecular Properties

Compound Name6-pyrrolidin-1-ylquinoline-2-carboxylic acid
PubChem CID82243885
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name6-pyrrolidin-1-ylquinoline-2-carboxylic acid
SMILESO=C(O)c1ccc2cc(N3CCCC3)ccc2n1
InChIInChI=1S/C14H14N2O2/c17-14(18)13-5-3-10-9-11(4-6-12(10)15-13)16-7-1-2-8-16/h3-6,9H,1-2,7-8H2,(H,17,18)
InChIKeyBVZGYVCVEQZTGH-UHFFFAOYSA-N
XLogP2.53
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 6-piperidin-1-ylquinoline-2-carboxylate
CID 82247475
2-(6-pyrrolidin-1-ylquinolin-2-yl)acetic acid
CID 82245506
2-methyl-6-piperidin-1-ylquinoline
CID 82242491
6-(2-methylpiperazin-1-yl)quinoline-2-carboxylic acid
CID 155401536
2-pyridin-2-yl-6-pyrrolidin-1-ylquinoline
CID 11854252
1-(10-pyrrolidin-1-ylpicen-3-yl)pyrrolidine
CID 58426575
1-methyl-5-(4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxylic acid
CID 83853464
europium;quinoline-2-carboxylic acid
CID 87730482
copper;quinoline-2-carboxylic acid
CID 68537473
4-pyrrolidin-1-ylpyridine-2,6-dicarbonyl chloride
CID 101420002
phenyl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 10491030
4-piperidin-1-ylquinoline-2-carboxylic acid
CID 55222187

Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-1-ylquinoline-2-carboxylic acid?
The IUPAC name of 6-pyrrolidin-1-ylquinoline-2-carboxylic acid (CID 82243885) is 6-pyrrolidin-1-ylquinoline-2-carboxylic acid.
What is the SMILES notation for 6-pyrrolidin-1-ylquinoline-2-carboxylic acid?
The canonical SMILES for 6-pyrrolidin-1-ylquinoline-2-carboxylic acid is O=C(O)c1ccc2cc(N3CCCC3)ccc2n1.
What is the InChIKey of 6-pyrrolidin-1-ylquinoline-2-carboxylic acid?
The InChIKey is BVZGYVCVEQZTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-14(18)13-5-3-10-9-11(4-6-12(10)15-13)16-7-1-2-8-16/h3-6,9H,1-2,7-8H2,(H,17,18).
What are the key properties of 6-pyrrolidin-1-ylquinoline-2-carboxylic acid?
6-pyrrolidin-1-ylquinoline-2-carboxylic acid has a molecular weight of 242.28 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-1-ylquinoline-2-carboxylic acid is sourced from PubChem (CID 82243885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).