2-chloro-N-phenylquinoline-4-carboxamide

C16H11ClN2O — CID 764044

IUPAC2-chloro-N-phenylquinoline-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C16H11ClN2O/c17-15-10-13(12-8-4-5-9-14(12)19-15)16(20)18-11-6-2-1-3-7-11/h1-10H,(H,18,20)
InChIKeyPMNCPGLOQSLIID-UHFFFAOYSA-N
MW282.73 g/mol
LogP4.14
Rot. Bonds2

About 2-chloro-N-phenylquinoline-4-carboxamide

2-chloro-N-phenylquinoline-4-carboxamide (PubChem CID 764044) has the molecular formula C16H11ClN2O and a molecular weight of 282.73 g/mol. Its IUPAC name is 2-chloro-N-phenylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-phenylquinoline-4-carboxamide
PubChem CID764044
Molecular FormulaC16H11ClN2O
Molecular Weight282.73 g/mol
Exact Mass282.06
IUPAC Name2-chloro-N-phenylquinoline-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C16H11ClN2O/c17-15-10-13(12-8-4-5-9-14(12)19-15)16(20)18-11-6-2-1-3-7-11/h1-10H,(H,18,20)
InChIKeyPMNCPGLOQSLIID-UHFFFAOYSA-N
XLogP4.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 54.14
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-phenylquinoline-4-carboxamide?
The IUPAC name of 2-chloro-N-phenylquinoline-4-carboxamide (CID 764044) is 2-chloro-N-phenylquinoline-4-carboxamide.
What is the SMILES notation for 2-chloro-N-phenylquinoline-4-carboxamide?
The canonical SMILES for 2-chloro-N-phenylquinoline-4-carboxamide is O=C(Nc1ccccc1)c1cc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-N-phenylquinoline-4-carboxamide?
The InChIKey is PMNCPGLOQSLIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O/c17-15-10-13(12-8-4-5-9-14(12)19-15)16(20)18-11-6-2-1-3-7-11/h1-10H,(H,18,20).
What are the key properties of 2-chloro-N-phenylquinoline-4-carboxamide?
2-chloro-N-phenylquinoline-4-carboxamide has a molecular weight of 282.73 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-phenylquinoline-4-carboxamide is sourced from PubChem (CID 764044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).