4-[[2-(4-hydroxypiperidin-1-yl)quinoline-4-carbonyl]amino]-3,5-dimethylbenzoic acid

C24H25N3O4 — CID 86707366

IUPAC4-[[2-(4-hydroxypiperidin-1-yl)quinoline-4-carbonyl]amino]-3,5-dimethylbenzoic acid
SMILESCc1cc(C(=O)O)cc(C)c1NC(=O)c1cc(N2CCC(O)CC2)nc2ccccc12
InChIInChI=1S/C24H25N3O4/c1-14-11-16(24(30)31)12-15(2)22(14)26-23(29)19-13-21(27-9-7-17(28)8-10-27)25-20-6-4-3-5-18(19)20/h3-6,11-13,17,28H,7-10H2,1-2H3,(H,26,29)(H,30,31)
InChIKeyJCTRNVCTGCQZAH-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.76
Rot. Bonds4

About 4-[[2-(4-hydroxypiperidin-1-yl)quinoline-4-carbonyl]amino]-3,5-dimethylbenzoic acid

4-[[2-(4-hydroxypiperidin-1-yl)quinoline-4-carbonyl]amino]-3,5-dimethylbenzoic acid (PubChem CID 86707366) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 4-[[2-(4-hydroxypiperidin-1-yl)quinoline-4-carbonyl]amino]-3,5-dimethylbenzoic acid.

Molecular Properties

Compound Name4-[[2-(4-hydroxypiperidin-1-yl)quinoline-4-carbonyl]amino]-3,5-dimethylbenzoic acid
PubChem CID86707366
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name4-[[2-(4-hydroxypiperidin-1-yl)quinoline-4-carbonyl]amino]-3,5-dimethylbenzoic acid
SMILESCc1cc(C(=O)O)cc(C)c1NC(=O)c1cc(N2CCC(O)CC2)nc2ccccc12
InChIInChI=1S/C24H25N3O4/c1-14-11-16(24(30)31)12-15(2)22(14)26-23(29)19-13-21(27-9-7-17(28)8-10-27)25-20-6-4-3-5-18(19)20/h3-6,11-13,17,28H,7-10H2,1-2H3,(H,26,29)(H,30,31)
InChIKeyJCTRNVCTGCQZAH-UHFFFAOYSA-N
XLogP3.76
TPSA102.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[2-(4-hydroxypiperidin-1-yl)quinoline-4-carbonyl]amino]-3,5-dimethylbenzoic acid with MolForge

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Related Compounds

2-(3-hydroxypyrrolidin-1-yl)-N-phenylquinoline-4-carboxamide
CID 22146674
N-(4-methylphenyl)-2-morpholin-4-ylquinoline-4-carboxamide
CID 659672
N-(2-ethylphenyl)-2-(4-methylpiperidin-1-yl)quinoline-4-carboxamide
CID 91232917
N-(3-methylphenyl)-2-piperidin-1-ylquinoline-4-carboxamide
CID 745042
N-benzyl-2-(4-morpholin-4-ylpiperidin-1-yl)quinoline-4-carboxamide
CID 117089548
[4-[[[2-[4-(2-oxoethyl)piperidin-1-yl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid
CID 87609015
tert-butyl N-[[4-[[[2-[4-[2-(3-hydroxyazetidin-1-yl)ethyl]piperidin-1-yl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methyl]carbamate
CID 56669554
tert-butyl N-[[4-[[[2-[4-(2-hydroxyethyl)piperidin-1-yl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methyl]carbamate
CID 56679719
2-(4-morpholin-4-ylpiperidin-1-yl)quinoline-4-carboxamide
CID 117094553
2-(3-methoxypyrrolidin-1-yl)quinoline-4-carboxylic acid
CID 103534285
(3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-(4-methylquinolin-2-yl)piperidin-3-ol
CID 56875982
1-(4-methylquinolin-2-yl)-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75479378

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-hydroxypiperidin-1-yl)quinoline-4-carbonyl]amino]-3,5-dimethylbenzoic acid?
The IUPAC name of 4-[[2-(4-hydroxypiperidin-1-yl)quinoline-4-carbonyl]amino]-3,5-dimethylbenzoic acid (CID 86707366) is 4-[[2-(4-hydroxypiperidin-1-yl)quinoline-4-carbonyl]amino]-3,5-dimethylbenzoic acid.
What is the SMILES notation for 4-[[2-(4-hydroxypiperidin-1-yl)quinoline-4-carbonyl]amino]-3,5-dimethylbenzoic acid?
The canonical SMILES for 4-[[2-(4-hydroxypiperidin-1-yl)quinoline-4-carbonyl]amino]-3,5-dimethylbenzoic acid is Cc1cc(C(=O)O)cc(C)c1NC(=O)c1cc(N2CCC(O)CC2)nc2ccccc12.
What is the InChIKey of 4-[[2-(4-hydroxypiperidin-1-yl)quinoline-4-carbonyl]amino]-3,5-dimethylbenzoic acid?
The InChIKey is JCTRNVCTGCQZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-14-11-16(24(30)31)12-15(2)22(14)26-23(29)19-13-21(27-9-7-17(28)8-10-27)25-20-6-4-3-5-18(19)20/h3-6,11-13,17,28H,7-10H2,1-2H3,(H,26,29)(H,30,31).
What are the key properties of 4-[[2-(4-hydroxypiperidin-1-yl)quinoline-4-carbonyl]amino]-3,5-dimethylbenzoic acid?
4-[[2-(4-hydroxypiperidin-1-yl)quinoline-4-carbonyl]amino]-3,5-dimethylbenzoic acid has a molecular weight of 419.48 g/mol, XLogP of 3.76, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-hydroxypiperidin-1-yl)quinoline-4-carbonyl]amino]-3,5-dimethylbenzoic acid is sourced from PubChem (CID 86707366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).