N-(3-acetamidophenyl)-2-chloro-7-fluoroquinoline-3-carboxamide

C18H13ClFN3O2 — CID 110299194

IUPACN-(3-acetamidophenyl)-2-chloro-7-fluoroquinoline-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc3ccc(F)cc3nc2Cl)c1
InChIInChI=1S/C18H13ClFN3O2/c1-10(24)21-13-3-2-4-14(9-13)22-18(25)15-7-11-5-6-12(20)8-16(11)23-17(15)19/h2-9H,1H3,(H,21,24)(H,22,25)
InChIKeyHWVSZEARUIRBHM-UHFFFAOYSA-N
MW357.77 g/mol
LogP4.24
Rot. Bonds3

About N-(3-acetamidophenyl)-2-chloro-7-fluoroquinoline-3-carboxamide

N-(3-acetamidophenyl)-2-chloro-7-fluoroquinoline-3-carboxamide (PubChem CID 110299194) has the molecular formula C18H13ClFN3O2 and a molecular weight of 357.77 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-chloro-7-fluoroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-chloro-7-fluoroquinoline-3-carboxamide
PubChem CID110299194
Molecular FormulaC18H13ClFN3O2
Molecular Weight357.77 g/mol
Exact Mass357.07
IUPAC NameN-(3-acetamidophenyl)-2-chloro-7-fluoroquinoline-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc3ccc(F)cc3nc2Cl)c1
InChIInChI=1S/C18H13ClFN3O2/c1-10(24)21-13-3-2-4-14(9-13)22-18(25)15-7-11-5-6-12(20)8-16(11)23-17(15)19/h2-9H,1H3,(H,21,24)(H,22,25)
InChIKeyHWVSZEARUIRBHM-UHFFFAOYSA-N
XLogP4.24
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.77
LogP ≤ 54.24
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-chloro-N-(3,5-dimethylphenyl)-7-fluoroquinoline-3-carboxamide
CID 110299173
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
methyl N-[3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]phenyl]carbamate
CID 87025782
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-(3-acetamidophenyl)-2-chlorobenzamide
CID 792012
2-chloro-7-fluoro-N-[2-(2-fluorophenyl)ethyl]quinoline-3-carboxamide
CID 110299126
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 86901460
1-[4-(2-chloro-7-fluoroquinoline-3-carbonyl)piperazin-1-yl]ethanone
CID 110299106
N-(3-fluorophenyl)-2-methylquinoline-3-carboxamide
CID 2140491
2-chloro-7-fluoro-N-[(4-methoxyphenyl)methyl]quinoline-3-carboxamide
CID 110299119

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-chloro-7-fluoroquinoline-3-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-2-chloro-7-fluoroquinoline-3-carboxamide (CID 110299194) is N-(3-acetamidophenyl)-2-chloro-7-fluoroquinoline-3-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-chloro-7-fluoroquinoline-3-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-chloro-7-fluoroquinoline-3-carboxamide is CC(=O)Nc1cccc(NC(=O)c2cc3ccc(F)cc3nc2Cl)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-chloro-7-fluoroquinoline-3-carboxamide?
The InChIKey is HWVSZEARUIRBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O2/c1-10(24)21-13-3-2-4-14(9-13)22-18(25)15-7-11-5-6-12(20)8-16(11)23-17(15)19/h2-9H,1H3,(H,21,24)(H,22,25).
What are the key properties of N-(3-acetamidophenyl)-2-chloro-7-fluoroquinoline-3-carboxamide?
N-(3-acetamidophenyl)-2-chloro-7-fluoroquinoline-3-carboxamide has a molecular weight of 357.77 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-chloro-7-fluoroquinoline-3-carboxamide is sourced from PubChem (CID 110299194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).