2-[1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidin-4-yl]acetic acid

C21H24N2O4 — CID 120515547

IUPAC2-[1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidin-4-yl]acetic acid
SMILESCOc1ccc2nc(C3CC3)cc(C(=O)N3CCC(CC(=O)O)CC3)c2c1
InChIInChI=1S/C21H24N2O4/c1-27-15-4-5-18-16(11-15)17(12-19(22-18)14-2-3-14)21(26)23-8-6-13(7-9-23)10-20(24)25/h4-5,11-14H,2-3,6-10H2,1H3,(H,24,25)
InChIKeyZXGGPBXLJPYVDT-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.45
Rot. Bonds5

About 2-[1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidin-4-yl]acetic acid

2-[1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidin-4-yl]acetic acid (PubChem CID 120515547) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-[1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidin-4-yl]acetic acid
PubChem CID120515547
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name2-[1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidin-4-yl]acetic acid
SMILESCOc1ccc2nc(C3CC3)cc(C(=O)N3CCC(CC(=O)O)CC3)c2c1
InChIInChI=1S/C21H24N2O4/c1-27-15-4-5-18-16(11-15)17(12-19(22-18)14-2-3-14)21(26)23-8-6-13(7-9-23)10-20(24)25/h4-5,11-14H,2-3,6-10H2,1H3,(H,24,25)
InChIKeyZXGGPBXLJPYVDT-UHFFFAOYSA-N
XLogP3.45
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 120514204
2-[1-(2-bromo-4-methoxybenzoyl)piperidin-4-yl]acetic acid
CID 154836645
2-[1-(2-fluoro-4-methoxybenzoyl)piperidin-4-yl]acetic acid
CID 103628835
(2-cyclopropylquinolin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645943
6-methoxy-2-piperidin-4-ylquinoline-4-carboxylic acid
CID 84643635
(4-hydroxypiperidin-1-yl)-(6-methoxy-2-methylquinolin-4-yl)methanone
CID 111459532
(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
2-[1-(5-methoxy-2-nitrobenzoyl)piperidin-4-yl]acetic acid
CID 119178398
5-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]pentanoic acid
CID 120525344
2-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]pentanoic acid
CID 120534676
3-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]-2-methylpropanoic acid
CID 120525811
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone
CID 124611735

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidin-4-yl]acetic acid (CID 120515547) is 2-[1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidin-4-yl]acetic acid is COc1ccc2nc(C3CC3)cc(C(=O)N3CCC(CC(=O)O)CC3)c2c1.
What is the InChIKey of 2-[1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidin-4-yl]acetic acid?
The InChIKey is ZXGGPBXLJPYVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-27-15-4-5-18-16(11-15)17(12-19(22-18)14-2-3-14)21(26)23-8-6-13(7-9-23)10-20(24)25/h4-5,11-14H,2-3,6-10H2,1H3,(H,24,25).
What are the key properties of 2-[1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidin-4-yl]acetic acid?
2-[1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidin-4-yl]acetic acid has a molecular weight of 368.43 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 120515547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).