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

C18H12F2N2O3 — CID 110607516

IUPAC7-fluoro-N-[2-(4-fluorophenyl)-2-oxoethyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(CNC(=O)c1cc2ccc(F)cc2[nH]c1=O)c1ccc(F)cc1
InChIInChI=1S/C18H12F2N2O3/c19-12-4-1-10(2-5-12)16(23)9-21-17(24)14-7-11-3-6-13(20)8-15(11)22-18(14)25/h1-8H,9H2,(H,21,24)(H,22,25)
InChIKeySXYPXNVIXMPURL-UHFFFAOYSA-N
MW342.30 g/mol
LogP2.42
Rot. Bonds4

About 7-fluoro-N-[2-(4-fluorophenyl)-2-oxoethyl]-2-oxo-1H-quinoline-3-carboxamide

7-fluoro-N-[2-(4-fluorophenyl)-2-oxoethyl]-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 110607516) has the molecular formula C18H12F2N2O3 and a molecular weight of 342.30 g/mol. Its IUPAC name is 7-fluoro-N-[2-(4-fluorophenyl)-2-oxoethyl]-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[2-(4-fluorophenyl)-2-oxoethyl]-2-oxo-1H-quinoline-3-carboxamide
PubChem CID110607516
Molecular FormulaC18H12F2N2O3
Molecular Weight342.30 g/mol
Exact Mass342.08
IUPAC Name7-fluoro-N-[2-(4-fluorophenyl)-2-oxoethyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(CNC(=O)c1cc2ccc(F)cc2[nH]c1=O)c1ccc(F)cc1
InChIInChI=1S/C18H12F2N2O3/c19-12-4-1-10(2-5-12)16(23)9-21-17(24)14-7-11-3-6-13(20)8-15(11)22-18(14)25/h1-8H,9H2,(H,21,24)(H,22,25)
InChIKeySXYPXNVIXMPURL-UHFFFAOYSA-N
XLogP2.42
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopentylmethyl)-7-fluoro-2-oxo-1H-quinoline-3-carboxamide
CID 110627525
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide
CID 110605998
ethyl 4-[(7-fluoro-2-oxo-1H-quinoline-3-carbonyl)amino]benzoate
CID 110426635
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide
CID 110626280
2-[(2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
CID 66951790
7-fluoro-2-oxo-N-(2-phenoxyethoxy)-1H-quinoline-3-carboxamide
CID 110632933
N-(cyclopropylmethyl)-6-fluoro-2-oxo-1H-quinoline-3-carboxamide
CID 155963960
N-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylbenzamide
CID 94280945
7-fluoro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-2-oxo-1H-quinoline-3-carboxamide
CID 110621241
N-[4-chloro-3-(trifluoromethyl)phenyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide
CID 110427041
N-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-3-carboxamide
CID 16613142
2-(7-fluoro-2-oxo-1H-quinolin-3-yl)ethylcarbamic acid
CID 118936154

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[2-(4-fluorophenyl)-2-oxoethyl]-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 7-fluoro-N-[2-(4-fluorophenyl)-2-oxoethyl]-2-oxo-1H-quinoline-3-carboxamide (CID 110607516) is 7-fluoro-N-[2-(4-fluorophenyl)-2-oxoethyl]-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 7-fluoro-N-[2-(4-fluorophenyl)-2-oxoethyl]-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 7-fluoro-N-[2-(4-fluorophenyl)-2-oxoethyl]-2-oxo-1H-quinoline-3-carboxamide is O=C(CNC(=O)c1cc2ccc(F)cc2[nH]c1=O)c1ccc(F)cc1.
What is the InChIKey of 7-fluoro-N-[2-(4-fluorophenyl)-2-oxoethyl]-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is SXYPXNVIXMPURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N2O3/c19-12-4-1-10(2-5-12)16(23)9-21-17(24)14-7-11-3-6-13(20)8-15(11)22-18(14)25/h1-8H,9H2,(H,21,24)(H,22,25).
What are the key properties of 7-fluoro-N-[2-(4-fluorophenyl)-2-oxoethyl]-2-oxo-1H-quinoline-3-carboxamide?
7-fluoro-N-[2-(4-fluorophenyl)-2-oxoethyl]-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 342.30 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[2-(4-fluorophenyl)-2-oxoethyl]-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 110607516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).