N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-oxo-1H-quinoline-3-carboxamide

C21H20FN3O3 — CID 17489195

IUPACN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C21H20FN3O3/c1-2-25(13-19(26)23-12-14-7-9-16(22)10-8-14)21(28)17-11-15-5-3-4-6-18(15)24-20(17)27/h3-11H,2,12-13H2,1H3,(H,23,26)(H,24,27)
InChIKeyFBHGOCBPRHPQGU-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.45
Rot. Bonds6

About N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-oxo-1H-quinoline-3-carboxamide

N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 17489195) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-oxo-1H-quinoline-3-carboxamide
PubChem CID17489195
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC NameN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C21H20FN3O3/c1-2-25(13-19(26)23-12-14-7-9-16(22)10-8-14)21(28)17-11-15-5-3-4-6-18(15)24-20(17)27/h3-11H,2,12-13H2,1H3,(H,23,26)(H,24,27)
InChIKeyFBHGOCBPRHPQGU-UHFFFAOYSA-N
XLogP2.45
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 18113075
N-[(4-chlorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 123757934
N-[(4-bromophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 142731957
2-[ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 27201362
N-ethyl-2-fluoro-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 958945
2-[ethyl-[2-(N-ethylanilino)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 55437782
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-oxo-1H-quinoline-3-carboxamide
CID 24655966
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 31764003
[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] naphthalene-2-carboxylate
CID 7697950
N,N-dimethyl-2-oxo-1H-quinoline-3-carboxamide
CID 14117619
5-bromo-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
CID 27821732
2-(2-chlorophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 26266085

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-oxo-1H-quinoline-3-carboxamide (CID 17489195) is N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-oxo-1H-quinoline-3-carboxamide is CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cc2ccccc2[nH]c1=O.
What is the InChIKey of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is FBHGOCBPRHPQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-2-25(13-19(26)23-12-14-7-9-16(22)10-8-14)21(28)17-11-15-5-3-4-6-18(15)24-20(17)27/h3-11H,2,12-13H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-oxo-1H-quinoline-3-carboxamide?
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 381.41 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 17489195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).