N-(2,6-dimethylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide

C20H19FN2O2 — CID 110418371

IUPACN-(2,6-dimethylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCc1cccc(C)c1NC(=O)CCc1cc2ccc(F)cc2[nH]c1=O
InChIInChI=1S/C20H19FN2O2/c1-12-4-3-5-13(2)19(12)23-18(24)9-7-15-10-14-6-8-16(21)11-17(14)22-20(15)25/h3-6,8,10-11H,7,9H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyDLRXOZKSNWAJEZ-UHFFFAOYSA-N
MW338.38 g/mol
LogP3.86
Rot. Bonds4

About N-(2,6-dimethylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide

N-(2,6-dimethylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide (PubChem CID 110418371) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
PubChem CID110418371
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC NameN-(2,6-dimethylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCc1cccc(C)c1NC(=O)CCc1cc2ccc(F)cc2[nH]c1=O
InChIInChI=1S/C20H19FN2O2/c1-12-4-3-5-13(2)19(12)23-18(24)9-7-15-10-14-6-8-16(21)11-17(14)22-20(15)25/h3-6,8,10-11H,7,9H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyDLRXOZKSNWAJEZ-UHFFFAOYSA-N
XLogP3.86
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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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-ethyl-6-methylphenyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
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3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(4-methoxyphenyl)propanamide
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3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(2-propan-2-ylphenyl)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-propylpropanamide
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3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(2-propan-2-yloxyphenyl)propanamide
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ethyl 4-[3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate
CID 110426665
N-butan-2-yl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
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N-cyclopentyl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide (CID 110418371) is N-(2,6-dimethylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide is Cc1cccc(C)c1NC(=O)CCc1cc2ccc(F)cc2[nH]c1=O.
What is the InChIKey of N-(2,6-dimethylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide?
The InChIKey is DLRXOZKSNWAJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-12-4-3-5-13(2)19(12)23-18(24)9-7-15-10-14-6-8-16(21)11-17(14)22-20(15)25/h3-6,8,10-11H,7,9H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-(2,6-dimethylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide?
N-(2,6-dimethylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide has a molecular weight of 338.38 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 110418371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).