N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

C20H21FN2O3 — CID 18115743

IUPACN-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCCN(Cc1ccc(OC)c(F)c1)C(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C20H21FN2O3/c1-3-23(12-13-4-8-18(26-2)16(21)10-13)20(25)15-5-7-17-14(11-15)6-9-19(24)22-17/h4-5,7-8,10-11H,3,6,9,12H2,1-2H3,(H,22,24)
InChIKeyDBWMDXTYISZPBV-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.38
Rot. Bonds5

About N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 18115743) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID18115743
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC NameN-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCCN(Cc1ccc(OC)c(F)c1)C(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C20H21FN2O3/c1-3-23(12-13-4-8-18(26-2)16(21)10-13)20(25)15-5-7-17-14(11-15)6-9-19(24)22-17/h4-5,7-8,10-11H,3,6,9,12H2,1-2H3,(H,22,24)
InChIKeyDBWMDXTYISZPBV-UHFFFAOYSA-N
XLogP3.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide with MolForge

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Related Compounds

[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667589
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide
CID 24678773
4-(2-amino-2-oxoethoxy)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 18115738
4-chloro-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-nitrobenzamide
CID 18192640
3-fluoro-4-methoxy-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide
CID 78891709
methyl 2-methoxy-5-[[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]methyl]benzoate
CID 18113019
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 31326875
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]furan-2-carboxamide
CID 60652216
N-methyl-N-[(4-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18103130
2-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 60712583
2-amino-N,2-diethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide
CID 79814219
4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 78797061

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (CID 18115743) is N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is CCN(Cc1ccc(OC)c(F)c1)C(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is DBWMDXTYISZPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-3-23(12-13-4-8-18(26-2)16(21)10-13)20(25)15-5-7-17-14(11-15)6-9-19(24)22-17/h4-5,7-8,10-11H,3,6,9,12H2,1-2H3,(H,22,24).
What are the key properties of N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 18115743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).