4-(3-methoxypyrrolidin-1-yl)quinoline-2-carboxylic acid

C15H16N2O3 — CID 103534309

IUPAC4-(3-methoxypyrrolidin-1-yl)quinoline-2-carboxylic acid
SMILESCOC1CCN(c2cc(C(=O)O)nc3ccccc23)C1
InChIInChI=1S/C15H16N2O3/c1-20-10-6-7-17(9-10)14-8-13(15(18)19)16-12-5-3-2-4-11(12)14/h2-5,8,10H,6-7,9H2,1H3,(H,18,19)
InChIKeyRMUOHDSMPVRLPV-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.16
Rot. Bonds3

About 4-(3-methoxypyrrolidin-1-yl)quinoline-2-carboxylic acid

4-(3-methoxypyrrolidin-1-yl)quinoline-2-carboxylic acid (PubChem CID 103534309) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-(3-methoxypyrrolidin-1-yl)quinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-methoxypyrrolidin-1-yl)quinoline-2-carboxylic acid
PubChem CID103534309
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name4-(3-methoxypyrrolidin-1-yl)quinoline-2-carboxylic acid
SMILESCOC1CCN(c2cc(C(=O)O)nc3ccccc23)C1
InChIInChI=1S/C15H16N2O3/c1-20-10-6-7-17(9-10)14-8-13(15(18)19)16-12-5-3-2-4-11(12)14/h2-5,8,10H,6-7,9H2,1H3,(H,18,19)
InChIKeyRMUOHDSMPVRLPV-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-hydroxy-4-methylpiperidin-1-yl)quinoline-2-carboxylic acid
CID 102958619
2-(3-methoxypyrrolidin-1-yl)quinoline-4-carboxylic acid
CID 103534285
methyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate
CID 78983917
4-piperidin-1-ylquinoline-2-carboxylic acid
CID 55222187
methyl 1-(2-methylquinolin-4-yl)piperidine-3-carboxylate
CID 115538397
6-(3-methoxypyrrolidin-1-yl)pyridazine-3-carboxylic acid
CID 103534319
6-[(3R)-3-methoxypyrrolidin-1-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 154436542
[4-[3-(methoxymethyl)pyrrolidin-1-yl]quinolin-2-yl]methanol
CID 64598867
4-(1,4-thiazepan-4-yl)quinoline-2-carboxylic acid
CID 63374218
4-(3-methoxypyrrolidin-1-yl)-2-methyl-7-phenylmethoxyquinoline
CID 22641415
6-(3-methoxypyrrolidin-1-yl)-2-phenylpyrimidine-4-carboxamide
CID 123494824
3-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-phenylpyridine
CID 91558572

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypyrrolidin-1-yl)quinoline-2-carboxylic acid?
The IUPAC name of 4-(3-methoxypyrrolidin-1-yl)quinoline-2-carboxylic acid (CID 103534309) is 4-(3-methoxypyrrolidin-1-yl)quinoline-2-carboxylic acid.
What is the SMILES notation for 4-(3-methoxypyrrolidin-1-yl)quinoline-2-carboxylic acid?
The canonical SMILES for 4-(3-methoxypyrrolidin-1-yl)quinoline-2-carboxylic acid is COC1CCN(c2cc(C(=O)O)nc3ccccc23)C1.
What is the InChIKey of 4-(3-methoxypyrrolidin-1-yl)quinoline-2-carboxylic acid?
The InChIKey is RMUOHDSMPVRLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-20-10-6-7-17(9-10)14-8-13(15(18)19)16-12-5-3-2-4-11(12)14/h2-5,8,10H,6-7,9H2,1H3,(H,18,19).
What are the key properties of 4-(3-methoxypyrrolidin-1-yl)quinoline-2-carboxylic acid?
4-(3-methoxypyrrolidin-1-yl)quinoline-2-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypyrrolidin-1-yl)quinoline-2-carboxylic acid is sourced from PubChem (CID 103534309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).