2-chloro-N-[2-(hydroxymethyl)cyclohexyl]quinoline-6-carboxamide

C17H19ClN2O2 — CID 110011733

IUPAC2-chloro-N-[2-(hydroxymethyl)cyclohexyl]quinoline-6-carboxamide
SMILESO=C(NC1CCCCC1CO)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C17H19ClN2O2/c18-16-8-6-11-9-12(5-7-15(11)19-16)17(22)20-14-4-2-1-3-13(14)10-21/h5-9,13-14,21H,1-4,10H2,(H,20,22)
InChIKeyWMWWEOJKKIPFAP-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.17
Rot. Bonds3

About 2-chloro-N-[2-(hydroxymethyl)cyclohexyl]quinoline-6-carboxamide

2-chloro-N-[2-(hydroxymethyl)cyclohexyl]quinoline-6-carboxamide (PubChem CID 110011733) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 2-chloro-N-[2-(hydroxymethyl)cyclohexyl]quinoline-6-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(hydroxymethyl)cyclohexyl]quinoline-6-carboxamide
PubChem CID110011733
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name2-chloro-N-[2-(hydroxymethyl)cyclohexyl]quinoline-6-carboxamide
SMILESO=C(NC1CCCCC1CO)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C17H19ClN2O2/c18-16-8-6-11-9-12(5-7-15(11)19-16)17(22)20-14-4-2-1-3-13(14)10-21/h5-9,13-14,21H,1-4,10H2,(H,20,22)
InChIKeyWMWWEOJKKIPFAP-UHFFFAOYSA-N
XLogP3.17
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.17
H-Bond Donors ≤ 52
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-(hydroxymethyl)cyclohexyl]pyridine-4-carboxamide
CID 103860531
3-chloro-4-hydroxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 113339750
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
4-N-[2-(hydroxymethyl)cyclohexyl]benzene-1,4-dicarboxamide
CID 103798607
3-bromo-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 103798593
3,4-dichloro-N-[2-(chloromethyl)cyclohexyl]benzamide
CID 106366901
4-(chloromethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106359879
N-[2-(hydroxymethyl)cyclopentyl]-3H-benzimidazole-5-carboxamide
CID 103856996
N-[2-(hydroxymethyl)cyclopentyl]-1,3-benzothiazole-6-carboxamide
CID 103774075
N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide
CID 103751338
N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide
CID 103751246
N-[2-(hydroxymethyl)cyclohexyl]-3,5-dimethylbenzamide
CID 103798546

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(hydroxymethyl)cyclohexyl]quinoline-6-carboxamide?
The IUPAC name of 2-chloro-N-[2-(hydroxymethyl)cyclohexyl]quinoline-6-carboxamide (CID 110011733) is 2-chloro-N-[2-(hydroxymethyl)cyclohexyl]quinoline-6-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(hydroxymethyl)cyclohexyl]quinoline-6-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(hydroxymethyl)cyclohexyl]quinoline-6-carboxamide is O=C(NC1CCCCC1CO)c1ccc2nc(Cl)ccc2c1.
What is the InChIKey of 2-chloro-N-[2-(hydroxymethyl)cyclohexyl]quinoline-6-carboxamide?
The InChIKey is WMWWEOJKKIPFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c18-16-8-6-11-9-12(5-7-15(11)19-16)17(22)20-14-4-2-1-3-13(14)10-21/h5-9,13-14,21H,1-4,10H2,(H,20,22).
What are the key properties of 2-chloro-N-[2-(hydroxymethyl)cyclohexyl]quinoline-6-carboxamide?
2-chloro-N-[2-(hydroxymethyl)cyclohexyl]quinoline-6-carboxamide has a molecular weight of 318.80 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(hydroxymethyl)cyclohexyl]quinoline-6-carboxamide is sourced from PubChem (CID 110011733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).