N-(6-chloro-8-methylquinolin-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide

C17H20ClN3O2 — CID 71875026

IUPACN-(6-chloro-8-methylquinolin-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCc1cc(Cl)c(NC(=O)N2CCCC(CO)C2)c2cccnc12
InChIInChI=1S/C17H20ClN3O2/c1-11-8-14(18)16(13-5-2-6-19-15(11)13)20-17(23)21-7-3-4-12(9-21)10-22/h2,5-6,8,12,22H,3-4,7,9-10H2,1H3,(H,20,23)
InChIKeyKJJPVHWXPWOUHI-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.43
Rot. Bonds2

About N-(6-chloro-8-methylquinolin-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide

N-(6-chloro-8-methylquinolin-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 71875026) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-(6-chloro-8-methylquinolin-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-8-methylquinolin-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID71875026
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC NameN-(6-chloro-8-methylquinolin-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCc1cc(Cl)c(NC(=O)N2CCCC(CO)C2)c2cccnc12
InChIInChI=1S/C17H20ClN3O2/c1-11-8-14(18)16(13-5-2-6-19-15(11)13)20-17(23)21-7-3-4-12(9-21)10-22/h2,5-6,8,12,22H,3-4,7,9-10H2,1H3,(H,20,23)
InChIKeyKJJPVHWXPWOUHI-UHFFFAOYSA-N
XLogP3.43
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(6-chloro-8-methylquinolin-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 96504613
N-(4-bromo-2,6-dimethylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110892772
benzo[f]quinolin-5-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110893934
1-(6-chloro-8-methylquinolin-5-yl)-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea
CID 95774160
(3R)-3-(hydroxymethyl)-N-(3-methylcinnolin-5-yl)piperidine-1-carboxamide
CID 97280110
N-(2,5-dimethylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 84528566
N-(6-chloro-8-methylquinolin-5-yl)-2-ethoxyacetamide
CID 60779334
6-chloro-N-cyclohexyl-8-methylquinolin-5-amine
CID 43674648
(3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 9120034
4-amino-N-(6-chloro-8-methylquinolin-5-yl)-2-methylbutanamide
CID 80543358
(3S)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 125179775
(3R)-3-(2-amino-2-oxoethyl)-N-(6-methylquinolin-8-yl)piperidine-1-carboxamide
CID 99584331

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-8-methylquinolin-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-(6-chloro-8-methylquinolin-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide (CID 71875026) is N-(6-chloro-8-methylquinolin-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(6-chloro-8-methylquinolin-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(6-chloro-8-methylquinolin-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide is Cc1cc(Cl)c(NC(=O)N2CCCC(CO)C2)c2cccnc12.
What is the InChIKey of N-(6-chloro-8-methylquinolin-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is KJJPVHWXPWOUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-11-8-14(18)16(13-5-2-6-19-15(11)13)20-17(23)21-7-3-4-12(9-21)10-22/h2,5-6,8,12,22H,3-4,7,9-10H2,1H3,(H,20,23).
What are the key properties of N-(6-chloro-8-methylquinolin-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide?
N-(6-chloro-8-methylquinolin-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-8-methylquinolin-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 71875026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).