2-chloro-N-cyclohexylquinoline-4-carboxamide

C16H17ClN2O — CID 3615037

IUPAC2-chloro-N-cyclohexylquinoline-4-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C16H17ClN2O/c17-15-10-13(12-8-4-5-9-14(12)19-15)16(20)18-11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2,(H,18,20)
InChIKeyUTBBKCQKBPBMAX-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.95
Rot. Bonds2

About 2-chloro-N-cyclohexylquinoline-4-carboxamide

2-chloro-N-cyclohexylquinoline-4-carboxamide (PubChem CID 3615037) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-chloro-N-cyclohexylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexylquinoline-4-carboxamide
PubChem CID3615037
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name2-chloro-N-cyclohexylquinoline-4-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C16H17ClN2O/c17-15-10-13(12-8-4-5-9-14(12)19-15)16(20)18-11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2,(H,18,20)
InChIKeyUTBBKCQKBPBMAX-UHFFFAOYSA-N
XLogP3.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexylquinoline-4-carboxamide?
The IUPAC name of 2-chloro-N-cyclohexylquinoline-4-carboxamide (CID 3615037) is 2-chloro-N-cyclohexylquinoline-4-carboxamide.
What is the SMILES notation for 2-chloro-N-cyclohexylquinoline-4-carboxamide?
The canonical SMILES for 2-chloro-N-cyclohexylquinoline-4-carboxamide is O=C(NC1CCCCC1)c1cc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-N-cyclohexylquinoline-4-carboxamide?
The InChIKey is UTBBKCQKBPBMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c17-15-10-13(12-8-4-5-9-14(12)19-15)16(20)18-11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2,(H,18,20).
What are the key properties of 2-chloro-N-cyclohexylquinoline-4-carboxamide?
2-chloro-N-cyclohexylquinoline-4-carboxamide has a molecular weight of 288.78 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexylquinoline-4-carboxamide is sourced from PubChem (CID 3615037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).