N-(3-fluoro-4-methoxyphenyl)-2-oxo-N-propan-2-yl-3,4-dihydro-1H-quinoline-4-carboxamide

C20H21FN2O3 — CID 60621226

IUPACN-(3-fluoro-4-methoxyphenyl)-2-oxo-N-propan-2-yl-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCOc1ccc(N(C(=O)C2CC(=O)Nc3ccccc32)C(C)C)cc1F
InChIInChI=1S/C20H21FN2O3/c1-12(2)23(13-8-9-18(26-3)16(21)10-13)20(25)15-11-19(24)22-17-7-5-4-6-14(15)17/h4-10,12,15H,11H2,1-3H3,(H,22,24)
InChIKeyWGZZBUJYFNOASM-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.70
Rot. Bonds4

About N-(3-fluoro-4-methoxyphenyl)-2-oxo-N-propan-2-yl-3,4-dihydro-1H-quinoline-4-carboxamide

N-(3-fluoro-4-methoxyphenyl)-2-oxo-N-propan-2-yl-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 60621226) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-2-oxo-N-propan-2-yl-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-2-oxo-N-propan-2-yl-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID60621226
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-2-oxo-N-propan-2-yl-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCOc1ccc(N(C(=O)C2CC(=O)Nc3ccccc32)C(C)C)cc1F
InChIInChI=1S/C20H21FN2O3/c1-12(2)23(13-8-9-18(26-3)16(21)10-13)20(25)15-11-19(24)22-17-7-5-4-6-14(15)17/h4-10,12,15H,11H2,1-3H3,(H,22,24)
InChIKeyWGZZBUJYFNOASM-UHFFFAOYSA-N
XLogP3.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-fluoro-4-methoxyphenyl)-2-oxo-N-propan-2-yl-3,4-dihydro-1H-quinoline-4-carboxamide with MolForge

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Related Compounds

N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 134036597
7-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 16598145
(4S)-7-fluoro-N-[(2-methoxyphenyl)methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 29434660
2-methyl-3-[methyl-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]propanoic acid
CID 119228113
N-(3-hydroxybutyl)-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 111695611
3-fluoro-4-methoxy-N-phenyl-N-propan-2-ylbenzamide
CID 78892722
(4S)-N-(3-amino-3-oxopropyl)-N-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 52550083
methyl 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-propan-2-ylamino]acetate
CID 78884778
(2,4-dimethylphenyl) 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
CID 24603447
N-(2-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46696236
N-butyl-2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide
CID 24591088
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-7-fluoro-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18135621

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)-2-oxo-N-propan-2-yl-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-2-oxo-N-propan-2-yl-3,4-dihydro-1H-quinoline-4-carboxamide (CID 60621226) is N-(3-fluoro-4-methoxyphenyl)-2-oxo-N-propan-2-yl-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-2-oxo-N-propan-2-yl-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-2-oxo-N-propan-2-yl-3,4-dihydro-1H-quinoline-4-carboxamide is COc1ccc(N(C(=O)C2CC(=O)Nc3ccccc32)C(C)C)cc1F.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-2-oxo-N-propan-2-yl-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is WGZZBUJYFNOASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-12(2)23(13-8-9-18(26-3)16(21)10-13)20(25)15-11-19(24)22-17-7-5-4-6-14(15)17/h4-10,12,15H,11H2,1-3H3,(H,22,24).
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-2-oxo-N-propan-2-yl-3,4-dihydro-1H-quinoline-4-carboxamide?
N-(3-fluoro-4-methoxyphenyl)-2-oxo-N-propan-2-yl-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methoxyphenyl)-2-oxo-N-propan-2-yl-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 60621226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).