6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N-methylquinoline-8-carboxamide

C18H21ClN2O2 — CID 110003642

IUPAC6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N-methylquinoline-8-carboxamide
SMILESCN(CC1CCCCC1O)C(=O)c1cc(Cl)cc2cccnc12
InChIInChI=1S/C18H21ClN2O2/c1-21(11-13-5-2-3-7-16(13)22)18(23)15-10-14(19)9-12-6-4-8-20-17(12)15/h4,6,8-10,13,16,22H,2-3,5,7,11H2,1H3
InChIKeyQWKYGIYZYRGKKE-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.51
Rot. Bonds3

About 6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N-methylquinoline-8-carboxamide

6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N-methylquinoline-8-carboxamide (PubChem CID 110003642) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N-methylquinoline-8-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N-methylquinoline-8-carboxamide
PubChem CID110003642
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N-methylquinoline-8-carboxamide
SMILESCN(CC1CCCCC1O)C(=O)c1cc(Cl)cc2cccnc12
InChIInChI=1S/C18H21ClN2O2/c1-21(11-13-5-2-3-7-16(13)22)18(23)15-10-14(19)9-12-6-4-8-20-17(12)15/h4,6,8-10,13,16,22H,2-3,5,7,11H2,1H3
InChIKeyQWKYGIYZYRGKKE-UHFFFAOYSA-N
XLogP3.51
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-N-methylbenzamide
CID 110003945
5-chloro-N-[(2-hydroxycyclohexyl)methyl]-2-methoxy-N-methylbenzamide
CID 110003382
6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethylpyridine-3-carboxamide
CID 110003317
N-[(2-hydroxycyclohexyl)methyl]-N-methylisoquinoline-1-carboxamide
CID 110003844
6-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylquinoline-8-carboxamide
CID 55875327
2-(4-bromopyrazol-1-yl)-N-[(2-hydroxycyclohexyl)methyl]-N-methylpyridine-3-carboxamide
CID 154841568
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-phenylbenzamide
CID 109400318
(3R)-1-(6-chloroquinoline-8-carbonyl)pyrrolidine-3-carboxylic acid
CID 124610671
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-pyridin-3-yloxybenzamide
CID 110003809
N-butyl-1-(6-chloroquinoline-8-carbonyl)-N-methylpiperidine-4-carboxamide
CID 55950411
2-[4-(6-chloroquinoline-8-carbonyl)piperazin-1-yl]-N,N-diethylacetamide
CID 55871061
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(6-chloroquinolin-8-yl)methanone;dihydrochloride
CID 120658469

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N-methylquinoline-8-carboxamide?
The IUPAC name of 6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N-methylquinoline-8-carboxamide (CID 110003642) is 6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N-methylquinoline-8-carboxamide.
What is the SMILES notation for 6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N-methylquinoline-8-carboxamide?
The canonical SMILES for 6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N-methylquinoline-8-carboxamide is CN(CC1CCCCC1O)C(=O)c1cc(Cl)cc2cccnc12.
What is the InChIKey of 6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N-methylquinoline-8-carboxamide?
The InChIKey is QWKYGIYZYRGKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-21(11-13-5-2-3-7-16(13)22)18(23)15-10-14(19)9-12-6-4-8-20-17(12)15/h4,6,8-10,13,16,22H,2-3,5,7,11H2,1H3.
What are the key properties of 6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N-methylquinoline-8-carboxamide?
6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N-methylquinoline-8-carboxamide has a molecular weight of 332.83 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N-methylquinoline-8-carboxamide is sourced from PubChem (CID 110003642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).