2-chloro-N-(3,5-dimethylphenyl)-7-fluoroquinoline-3-carboxamide

C18H14ClFN2O — CID 110299173

IUPAC2-chloro-N-(3,5-dimethylphenyl)-7-fluoroquinoline-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cc3ccc(F)cc3nc2Cl)c1
InChIInChI=1S/C18H14ClFN2O/c1-10-5-11(2)7-14(6-10)21-18(23)15-8-12-3-4-13(20)9-16(12)22-17(15)19/h3-9H,1-2H3,(H,21,23)
InChIKeyUTPYSXUSMASHIA-UHFFFAOYSA-N
MW328.77 g/mol
LogP4.90
Rot. Bonds2

About 2-chloro-N-(3,5-dimethylphenyl)-7-fluoroquinoline-3-carboxamide

2-chloro-N-(3,5-dimethylphenyl)-7-fluoroquinoline-3-carboxamide (PubChem CID 110299173) has the molecular formula C18H14ClFN2O and a molecular weight of 328.77 g/mol. Its IUPAC name is 2-chloro-N-(3,5-dimethylphenyl)-7-fluoroquinoline-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3,5-dimethylphenyl)-7-fluoroquinoline-3-carboxamide
PubChem CID110299173
Molecular FormulaC18H14ClFN2O
Molecular Weight328.77 g/mol
Exact Mass328.08
IUPAC Name2-chloro-N-(3,5-dimethylphenyl)-7-fluoroquinoline-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cc3ccc(F)cc3nc2Cl)c1
InChIInChI=1S/C18H14ClFN2O/c1-10-5-11(2)7-14(6-10)21-18(23)15-8-12-3-4-13(20)9-16(12)22-17(15)19/h3-9H,1-2H3,(H,21,23)
InChIKeyUTPYSXUSMASHIA-UHFFFAOYSA-N
XLogP4.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.77
LogP ≤ 54.90
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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Related Compounds

N-(3-acetamidophenyl)-2-chloro-7-fluoroquinoline-3-carboxamide
CID 110299194
2-chloro-N-(2-chlorophenyl)-7-fluoroquinoline-3-carboxamide
CID 110299179
2-chloro-7-fluoro-N-(6-methoxy-3-pyridinyl)quinoline-3-carboxamide
CID 110301899
2-chloro-7-fluoro-N-(4-pyrrolidin-1-ylphenyl)quinoline-3-carboxamide
CID 110299200
2-chloro-7-fluoro-N-[(3-methylphenyl)methyl]quinoline-3-carboxamide
CID 110299110
2-chloro-N-(2,4-dimethoxyphenyl)-7-fluoroquinoline-3-carboxamide
CID 110299190
N-(4-ethylphenyl)-7-fluoro-2-methylquinoline-3-carboxamide
CID 46520271
N-[4-(2,2-dimethylpropanoylamino)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 24641732
2-chloro-7-fluoro-N-[(4-methoxyphenyl)methyl]quinoline-3-carboxamide
CID 110299119
2-chloro-7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]quinoline-3-carboxamide
CID 110299153
2-chloro-7-fluoro-N-[2-(2-fluorophenyl)ethyl]quinoline-3-carboxamide
CID 110299126
methyl N-[3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]phenyl]carbamate
CID 87025782

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,5-dimethylphenyl)-7-fluoroquinoline-3-carboxamide?
The IUPAC name of 2-chloro-N-(3,5-dimethylphenyl)-7-fluoroquinoline-3-carboxamide (CID 110299173) is 2-chloro-N-(3,5-dimethylphenyl)-7-fluoroquinoline-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(3,5-dimethylphenyl)-7-fluoroquinoline-3-carboxamide?
The canonical SMILES for 2-chloro-N-(3,5-dimethylphenyl)-7-fluoroquinoline-3-carboxamide is Cc1cc(C)cc(NC(=O)c2cc3ccc(F)cc3nc2Cl)c1.
What is the InChIKey of 2-chloro-N-(3,5-dimethylphenyl)-7-fluoroquinoline-3-carboxamide?
The InChIKey is UTPYSXUSMASHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O/c1-10-5-11(2)7-14(6-10)21-18(23)15-8-12-3-4-13(20)9-16(12)22-17(15)19/h3-9H,1-2H3,(H,21,23).
What are the key properties of 2-chloro-N-(3,5-dimethylphenyl)-7-fluoroquinoline-3-carboxamide?
2-chloro-N-(3,5-dimethylphenyl)-7-fluoroquinoline-3-carboxamide has a molecular weight of 328.77 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,5-dimethylphenyl)-7-fluoroquinoline-3-carboxamide is sourced from PubChem (CID 110299173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).