5-[2-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]-1-methyl-6-oxopyridine-2-carbonitrile

C18H14ClFN4O2 — CID 118961476

IUPAC5-[2-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]-1-methyl-6-oxopyridine-2-carbonitrile
SMILESCn1c(C#N)ccc(NCCc2cc3cc(Cl)cc(F)c3[nH]c2=O)c1=O
InChIInChI=1S/C18H14ClFN4O2/c1-24-13(9-21)2-3-15(18(24)26)22-5-4-10-6-11-7-12(19)8-14(20)16(11)23-17(10)25/h2-3,6-8,22H,4-5H2,1H3,(H,23,25)
InChIKeyFJDWMHMHNHVKTN-UHFFFAOYSA-N
MW372.79 g/mol
LogP2.55
Rot. Bonds4

About 5-[2-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]-1-methyl-6-oxopyridine-2-carbonitrile

5-[2-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]-1-methyl-6-oxopyridine-2-carbonitrile (PubChem CID 118961476) has the molecular formula C18H14ClFN4O2 and a molecular weight of 372.79 g/mol. Its IUPAC name is 5-[2-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]-1-methyl-6-oxopyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]-1-methyl-6-oxopyridine-2-carbonitrile
PubChem CID118961476
Molecular FormulaC18H14ClFN4O2
Molecular Weight372.79 g/mol
Exact Mass372.08
IUPAC Name5-[2-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]-1-methyl-6-oxopyridine-2-carbonitrile
SMILESCn1c(C#N)ccc(NCCc2cc3cc(Cl)cc(F)c3[nH]c2=O)c1=O
InChIInChI=1S/C18H14ClFN4O2/c1-24-13(9-21)2-3-15(18(24)26)22-5-4-10-6-11-7-12(19)8-14(20)16(11)23-17(10)25/h2-3,6-8,22H,4-5H2,1H3,(H,23,25)
InChIKeyFJDWMHMHNHVKTN-UHFFFAOYSA-N
XLogP2.55
TPSA90.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.79
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[2-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]-1-methyl-6-oxopyridine-2-carbonitrile with MolForge

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Related Compounds

6-chloro-8-fluoro-3-[2-[3-(4-methylthiophen-3-yl)anilino]ethyl]-1H-quinolin-2-one
CID 118956644
5-[[(1S)-1-(8-chloro-6-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrile
CID 135360082
6-chloro-3-[[[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]amino]methyl]-1H-quinolin-2-one
CID 118955448
6-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-2-methylpyridine-3-carbonitrile
CID 118955978
5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-6-oxo-1H-pyridine-2-carbonitrile
CID 118955458
2-(4-chlorophenyl)-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 110326206
4-chloro-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
CID 22430774
3-chloro-4-[2-(2,4-dichlorophenyl)ethylamino]benzonitrile
CID 63511428
N-[5-(5-cyano-1-methylpyrrol-2-yl)-2-fluorophenyl]-2-methylpropanamide
CID 155809311
N-(5-chloro-2-methylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
CID 110420828
6-[(4-chloro-2-fluoroanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 60705584
1-(4-chlorophenyl)-3-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]thiourea
CID 7137004

Frequently Asked Questions

What is the IUPAC name of 5-[2-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]-1-methyl-6-oxopyridine-2-carbonitrile?
The IUPAC name of 5-[2-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]-1-methyl-6-oxopyridine-2-carbonitrile (CID 118961476) is 5-[2-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]-1-methyl-6-oxopyridine-2-carbonitrile.
What is the SMILES notation for 5-[2-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]-1-methyl-6-oxopyridine-2-carbonitrile?
The canonical SMILES for 5-[2-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]-1-methyl-6-oxopyridine-2-carbonitrile is Cn1c(C#N)ccc(NCCc2cc3cc(Cl)cc(F)c3[nH]c2=O)c1=O.
What is the InChIKey of 5-[2-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]-1-methyl-6-oxopyridine-2-carbonitrile?
The InChIKey is FJDWMHMHNHVKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O2/c1-24-13(9-21)2-3-15(18(24)26)22-5-4-10-6-11-7-12(19)8-14(20)16(11)23-17(10)25/h2-3,6-8,22H,4-5H2,1H3,(H,23,25).
What are the key properties of 5-[2-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]-1-methyl-6-oxopyridine-2-carbonitrile?
5-[2-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]-1-methyl-6-oxopyridine-2-carbonitrile has a molecular weight of 372.79 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]-1-methyl-6-oxopyridine-2-carbonitrile is sourced from PubChem (CID 118961476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).