2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-6-carboxamide

C15H17ClN2O2 — CID 111663099

IUPAC2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-6-carboxamide
SMILESCN(CC(C)(C)O)C(=O)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C15H17ClN2O2/c1-15(2,20)9-18(3)14(19)11-4-6-12-10(8-11)5-7-13(16)17-12/h4-8,20H,9H2,1-3H3
InChIKeyYCFUOLUTEHRHLM-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.73
Rot. Bonds3

About 2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-6-carboxamide

2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-6-carboxamide (PubChem CID 111663099) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-6-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-6-carboxamide
PubChem CID111663099
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-6-carboxamide
SMILESCN(CC(C)(C)O)C(=O)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C15H17ClN2O2/c1-15(2,20)9-18(3)14(19)11-4-6-12-10(8-11)5-7-13(16)17-12/h4-8,20H,9H2,1-3H3
InChIKeyYCFUOLUTEHRHLM-UHFFFAOYSA-N
XLogP2.73
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,6-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-4-carboxamide
CID 79390037
2-chloro-N-[(2,4-difluorophenyl)methyl]-N-methylquinoline-6-carboxamide
CID 55730341
2,6-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
CID 106994076
2-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylquinoline-6-carboxamide
CID 55958040
2-chloro-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylquinoline-6-carboxamide
CID 55858078
N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 13214665
3-[2-fluoro-4-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]phenyl]prop-2-enoic acid
CID 79379527
3-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-4-nitrobenzamide
CID 82780349
3-chloro-N-(2-hydroxy-2-methylpropyl)-N,5-dimethylbenzamide
CID 81002742
N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
CID 79290970
2-chloro-N-[1-(3,4-difluorophenyl)ethyl]-N-methylquinoline-6-carboxamide
CID 55731326
2-(2-chloroquinolin-6-yl)propan-2-ol
CID 164550082

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-6-carboxamide?
The IUPAC name of 2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-6-carboxamide (CID 111663099) is 2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-6-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-6-carboxamide?
The canonical SMILES for 2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-6-carboxamide is CN(CC(C)(C)O)C(=O)c1ccc2nc(Cl)ccc2c1.
What is the InChIKey of 2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-6-carboxamide?
The InChIKey is YCFUOLUTEHRHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-15(2,20)9-18(3)14(19)11-4-6-12-10(8-11)5-7-13(16)17-12/h4-8,20H,9H2,1-3H3.
What are the key properties of 2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-6-carboxamide?
2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-6-carboxamide has a molecular weight of 292.77 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-6-carboxamide is sourced from PubChem (CID 111663099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).