N-(5-chloro-2-methylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide

C19H16ClFN2O2 — CID 110420828

IUPACN-(5-chloro-2-methylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCc1ccc(Cl)cc1NC(=O)CCc1cc2ccc(F)cc2[nH]c1=O
InChIInChI=1S/C19H16ClFN2O2/c1-11-2-5-14(20)9-16(11)22-18(24)7-4-13-8-12-3-6-15(21)10-17(12)23-19(13)25/h2-3,5-6,8-10H,4,7H2,1H3,(H,22,24)(H,23,25)
InChIKeyZYSIMOQVHQMNNL-UHFFFAOYSA-N
MW358.80 g/mol
LogP4.20
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide

N-(5-chloro-2-methylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide (PubChem CID 110420828) has the molecular formula C19H16ClFN2O2 and a molecular weight of 358.80 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
PubChem CID110420828
Molecular FormulaC19H16ClFN2O2
Molecular Weight358.80 g/mol
Exact Mass358.09
IUPAC NameN-(5-chloro-2-methylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCc1ccc(Cl)cc1NC(=O)CCc1cc2ccc(F)cc2[nH]c1=O
InChIInChI=1S/C19H16ClFN2O2/c1-11-2-5-14(20)9-16(11)22-18(24)7-4-13-8-12-3-6-15(21)10-17(12)23-19(13)25/h2-3,5-6,8-10H,4,7H2,1H3,(H,22,24)(H,23,25)
InChIKeyZYSIMOQVHQMNNL-UHFFFAOYSA-N
XLogP4.20
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.80
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dimethylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
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3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(2-propan-2-ylphenyl)propanamide
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3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(2-propan-2-yloxyphenyl)propanamide
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3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(4-methoxyphenyl)propanamide
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N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
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3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(2-methyl-4-pyridinyl)propanamide
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N-(2,5-dimethylphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
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ethyl 4-[3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate
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N-(5-chloro-2-methylphenyl)-2-(4-fluorophenyl)acetamide
CID 808427
N-(5-chloro-2-methoxyphenyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
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N-butan-2-yl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide (CID 110420828) is N-(5-chloro-2-methylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide is Cc1ccc(Cl)cc1NC(=O)CCc1cc2ccc(F)cc2[nH]c1=O.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide?
The InChIKey is ZYSIMOQVHQMNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O2/c1-11-2-5-14(20)9-16(11)22-18(24)7-4-13-8-12-3-6-15(21)10-17(12)23-19(13)25/h2-3,5-6,8-10H,4,7H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-(5-chloro-2-methylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide?
N-(5-chloro-2-methylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide has a molecular weight of 358.80 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 110420828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).