4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile

C17H15FN2O — CID 78470745

IUPAC4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile
SMILESCC1=NC2=C(C(=O)CCC2)C(c2cccc(F)c2)C1C#N
InChIInChI=1S/C17H15FN2O/c1-10-13(9-19)16(11-4-2-5-12(18)8-11)17-14(20-10)6-3-7-15(17)21/h2,4-5,8,13,16H,3,6-7H2,1H3
InChIKeyNPYASEHJCKGJHO-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.53
Rot. Bonds1

About 4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile

4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile (PubChem CID 78470745) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile
PubChem CID78470745
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile
SMILESCC1=NC2=C(C(=O)CCC2)C(c2cccc(F)c2)C1C#N
InChIInChI=1S/C17H15FN2O/c1-10-13(9-19)16(11-4-2-5-12(18)8-11)17-14(20-10)6-3-7-15(17)21/h2,4-5,8,13,16H,3,6-7H2,1H3
InChIKeyNPYASEHJCKGJHO-UHFFFAOYSA-N
XLogP3.53
TPSA53.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile with MolForge

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Related Compounds

US10370336, Example 1-11
CID 146676225
AK-968/37044026
CID 2863736
4-(3-Fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
CID 2872931
4-(4-Fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
CID 2818325
3-Allyl-7,7-dimethyl-2-methylsulfanyl-5-oxo-4-phenyl-3,4,5,6,7,8-hexahydro-quinoline-3-carbonitrile
CID 534318
3-(1,8-Dioxo-2,3,4,5,6,7,8a,9-octahydroacridin-9-yl)benzonitrile
CID 53933047
4-(2,6-difluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
CID 4242270
2-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile
CID 74686932
4-(2-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile
CID 74686978
4-(4-Fluorophenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile
CID 74687035
4-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile
CID 78429684
4-(3-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile
CID 78431387

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile?
The IUPAC name of 4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile (CID 78470745) is 4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile.
What is the SMILES notation for 4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile?
The canonical SMILES for 4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile is CC1=NC2=C(C(=O)CCC2)C(c2cccc(F)c2)C1C#N.
What is the InChIKey of 4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile?
The InChIKey is NPYASEHJCKGJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-10-13(9-19)16(11-4-2-5-12(18)8-11)17-14(20-10)6-3-7-15(17)21/h2,4-5,8,13,16H,3,6-7H2,1H3.
What are the key properties of 4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile?
4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile has a molecular weight of 282.32 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile is sourced from PubChem (CID 78470745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).