6-methoxy-2-piperidin-4-ylquinoline-4-carboxylic acid

C16H18N2O3 — CID 84643635

IUPAC6-methoxy-2-piperidin-4-ylquinoline-4-carboxylic acid
SMILESCOc1ccc2nc(C3CCNCC3)cc(C(=O)O)c2c1
InChIInChI=1S/C16H18N2O3/c1-21-11-2-3-14-12(8-11)13(16(19)20)9-15(18-14)10-4-6-17-7-5-10/h2-3,8-10,17H,4-7H2,1H3,(H,19,20)
InChIKeyMGYUNQPXAOXTBP-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.41
Rot. Bonds3

About 6-methoxy-2-piperidin-4-ylquinoline-4-carboxylic acid

6-methoxy-2-piperidin-4-ylquinoline-4-carboxylic acid (PubChem CID 84643635) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 6-methoxy-2-piperidin-4-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-2-piperidin-4-ylquinoline-4-carboxylic acid
PubChem CID84643635
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name6-methoxy-2-piperidin-4-ylquinoline-4-carboxylic acid
SMILESCOc1ccc2nc(C3CCNCC3)cc(C(=O)O)c2c1
InChIInChI=1S/C16H18N2O3/c1-21-11-2-3-14-12(8-11)13(16(19)20)9-15(18-14)10-4-6-17-7-5-10/h2-3,8-10,17H,4-7H2,1H3,(H,19,20)
InChIKeyMGYUNQPXAOXTBP-UHFFFAOYSA-N
XLogP2.41
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-2-piperidin-4-ylquinoline-4-carboxylic acid
CID 84643398
2-piperidin-4-ylquinoline-4-carboxylic acid
CID 84635932
2-[1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidin-4-yl]acetic acid
CID 120515547
(3S)-1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 120514204
N-(3-acetamidophenyl)-2-cyclopropyl-6-methoxyquinoline-4-carboxamide
CID 71844776
3-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]-2-methylpropanoic acid
CID 120525811
7-methoxy-2-pyrrolidin-2-ylquinoline-4-carboxylic acid
CID 84641748
5-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]pentanoic acid
CID 120525344
2-cyclopropyl-6-methoxyquinolin-4-amine
CID 63357972
2-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]pentanoic acid
CID 120534676
2-cyclopropyl-6-methoxy-8-methylquinoline-4-carboxylic acid
CID 84636491
(3aS,7aS)-2-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120627206

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-piperidin-4-ylquinoline-4-carboxylic acid?
The IUPAC name of 6-methoxy-2-piperidin-4-ylquinoline-4-carboxylic acid (CID 84643635) is 6-methoxy-2-piperidin-4-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 6-methoxy-2-piperidin-4-ylquinoline-4-carboxylic acid?
The canonical SMILES for 6-methoxy-2-piperidin-4-ylquinoline-4-carboxylic acid is COc1ccc2nc(C3CCNCC3)cc(C(=O)O)c2c1.
What is the InChIKey of 6-methoxy-2-piperidin-4-ylquinoline-4-carboxylic acid?
The InChIKey is MGYUNQPXAOXTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-21-11-2-3-14-12(8-11)13(16(19)20)9-15(18-14)10-4-6-17-7-5-10/h2-3,8-10,17H,4-7H2,1H3,(H,19,20).
What are the key properties of 6-methoxy-2-piperidin-4-ylquinoline-4-carboxylic acid?
6-methoxy-2-piperidin-4-ylquinoline-4-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-piperidin-4-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 84643635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).