N-[1-(3,4-difluorophenyl)ethyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide

C19H18F2N2O2 — CID 75459992

IUPACN-[1-(3,4-difluorophenyl)ethyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
SMILESCC(NC(=O)C1CC(=O)N(C)c2ccccc21)c1ccc(F)c(F)c1
InChIInChI=1S/C19H18F2N2O2/c1-11(12-7-8-15(20)16(21)9-12)22-19(25)14-10-18(24)23(2)17-6-4-3-5-13(14)17/h3-9,11,14H,10H2,1-2H3,(H,22,25)
InChIKeyCCAJOWCGEQAYPA-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.29
Rot. Bonds3

About N-[1-(3,4-difluorophenyl)ethyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide

N-[1-(3,4-difluorophenyl)ethyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide (PubChem CID 75459992) has the molecular formula C19H18F2N2O2 and a molecular weight of 344.36 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
PubChem CID75459992
Molecular FormulaC19H18F2N2O2
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
SMILESCC(NC(=O)C1CC(=O)N(C)c2ccccc21)c1ccc(F)c(F)c1
InChIInChI=1S/C19H18F2N2O2/c1-11(12-7-8-15(20)16(21)9-12)22-19(25)14-10-18(24)23(2)17-6-4-3-5-13(14)17/h3-9,11,14H,10H2,1-2H3,(H,22,25)
InChIKeyCCAJOWCGEQAYPA-UHFFFAOYSA-N
XLogP3.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
CID 33277293
N-(3-acetamidophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
CID 110703069
1-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydroquinoline-4-carboxamide
CID 110703022
N-(3-chloro-4-methylphenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
CID 110703047
N-[2-(dimethylamino)ethyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
CID 110702966
N-[1-(3,4-difluorophenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 112764157
N-(2-carbamoylphenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
CID 110703065
1-methyl-2-oxo-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3,4-dihydroquinoline-4-carboxamide
CID 146139808
2-[1-(3,4-difluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 126786554
N-[1-(3-chlorophenyl)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 43024563
(1S,5R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 26526461
1-N-[1-(3,4-difluorophenyl)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide
CID 51275131

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide (CID 75459992) is N-[1-(3,4-difluorophenyl)ethyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide is CC(NC(=O)C1CC(=O)N(C)c2ccccc21)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide?
The InChIKey is CCAJOWCGEQAYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O2/c1-11(12-7-8-15(20)16(21)9-12)22-19(25)14-10-18(24)23(2)17-6-4-3-5-13(14)17/h3-9,11,14H,10H2,1-2H3,(H,22,25).
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide?
N-[1-(3,4-difluorophenyl)ethyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide has a molecular weight of 344.36 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide is sourced from PubChem (CID 75459992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).