2-chloro-7-fluoro-N-(6-methoxy-3-pyridinyl)quinoline-3-carboxamide

C16H11ClFN3O2 — CID 110301899

IUPAC2-chloro-7-fluoro-N-(6-methoxy-3-pyridinyl)quinoline-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3ccc(F)cc3nc2Cl)cn1
InChIInChI=1S/C16H11ClFN3O2/c1-23-14-5-4-11(8-19-14)20-16(22)12-6-9-2-3-10(18)7-13(9)21-15(12)17/h2-8H,1H3,(H,20,22)
InChIKeyCNEZWLFQLWSDSU-UHFFFAOYSA-N
MW331.73 g/mol
LogP3.68
Rot. Bonds3

About 2-chloro-7-fluoro-N-(6-methoxy-3-pyridinyl)quinoline-3-carboxamide

2-chloro-7-fluoro-N-(6-methoxy-3-pyridinyl)quinoline-3-carboxamide (PubChem CID 110301899) has the molecular formula C16H11ClFN3O2 and a molecular weight of 331.73 g/mol. Its IUPAC name is 2-chloro-7-fluoro-N-(6-methoxy-3-pyridinyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name2-chloro-7-fluoro-N-(6-methoxy-3-pyridinyl)quinoline-3-carboxamide
PubChem CID110301899
Molecular FormulaC16H11ClFN3O2
Molecular Weight331.73 g/mol
Exact Mass331.05
IUPAC Name2-chloro-7-fluoro-N-(6-methoxy-3-pyridinyl)quinoline-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3ccc(F)cc3nc2Cl)cn1
InChIInChI=1S/C16H11ClFN3O2/c1-23-14-5-4-11(8-19-14)20-16(22)12-6-9-2-3-10(18)7-13(9)21-15(12)17/h2-8H,1H3,(H,20,22)
InChIKeyCNEZWLFQLWSDSU-UHFFFAOYSA-N
XLogP3.68
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.73
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-7-fluoro-N-(6-methoxy-3-pyridinyl)quinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(3,5-dimethylphenyl)-7-fluoroquinoline-3-carboxamide
CID 110299173
N-(3-acetamidophenyl)-2-chloro-7-fluoroquinoline-3-carboxamide
CID 110299194
2-chloro-N-(2,4-dimethoxyphenyl)-7-fluoroquinoline-3-carboxamide
CID 110299190
2,5-dichloro-N-(6-methoxy-3-pyridinyl)pyridine-4-carboxamide
CID 114917038
2-chloro-7-fluoro-N-[(4-methoxyphenyl)methyl]quinoline-3-carboxamide
CID 110299119
2-chloro-N-(2-chlorophenyl)-7-fluoroquinoline-3-carboxamide
CID 110299179
5-(3-fluorophenyl)-N-(6-methoxy-3-pyridinyl)pyridine-3-carboxamide
CID 68548529
2-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide
CID 26515816
2-bromo-5-methoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 27645934
5-amino-N-(6-methoxy-3-pyridinyl)-2,4-dimethylbenzamide
CID 102704818
N-(4-ethylphenyl)-7-fluoro-2-methylquinoline-3-carboxamide
CID 46520271
4-bromo-3-fluoro-N-(6-methoxy-3-pyridinyl)benzamide
CID 47421902

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-fluoro-N-(6-methoxy-3-pyridinyl)quinoline-3-carboxamide?
The IUPAC name of 2-chloro-7-fluoro-N-(6-methoxy-3-pyridinyl)quinoline-3-carboxamide (CID 110301899) is 2-chloro-7-fluoro-N-(6-methoxy-3-pyridinyl)quinoline-3-carboxamide.
What is the SMILES notation for 2-chloro-7-fluoro-N-(6-methoxy-3-pyridinyl)quinoline-3-carboxamide?
The canonical SMILES for 2-chloro-7-fluoro-N-(6-methoxy-3-pyridinyl)quinoline-3-carboxamide is COc1ccc(NC(=O)c2cc3ccc(F)cc3nc2Cl)cn1.
What is the InChIKey of 2-chloro-7-fluoro-N-(6-methoxy-3-pyridinyl)quinoline-3-carboxamide?
The InChIKey is CNEZWLFQLWSDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3O2/c1-23-14-5-4-11(8-19-14)20-16(22)12-6-9-2-3-10(18)7-13(9)21-15(12)17/h2-8H,1H3,(H,20,22).
What are the key properties of 2-chloro-7-fluoro-N-(6-methoxy-3-pyridinyl)quinoline-3-carboxamide?
2-chloro-7-fluoro-N-(6-methoxy-3-pyridinyl)quinoline-3-carboxamide has a molecular weight of 331.73 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-fluoro-N-(6-methoxy-3-pyridinyl)quinoline-3-carboxamide is sourced from PubChem (CID 110301899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).