2-[7-methyl-3-(4-methylphenyl)-4-oxoquinolin-1-yl]acetonitrile

C19H16N2O — CID 59110332

IUPAC2-[7-methyl-3-(4-methylphenyl)-4-oxoquinolin-1-yl]acetonitrile
SMILESCc1ccc(-c2cn(CC#N)c3cc(C)ccc3c2=O)cc1
InChIInChI=1S/C19H16N2O/c1-13-3-6-15(7-4-13)17-12-21(10-9-20)18-11-14(2)5-8-16(18)19(17)22/h3-8,11-12H,10H2,1-2H3
InChIKeyUFJHPOFAGODOJF-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.81
Rot. Bonds2

About 2-[7-methyl-3-(4-methylphenyl)-4-oxoquinolin-1-yl]acetonitrile

2-[7-methyl-3-(4-methylphenyl)-4-oxoquinolin-1-yl]acetonitrile (PubChem CID 59110332) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[7-methyl-3-(4-methylphenyl)-4-oxoquinolin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[7-methyl-3-(4-methylphenyl)-4-oxoquinolin-1-yl]acetonitrile
PubChem CID59110332
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name2-[7-methyl-3-(4-methylphenyl)-4-oxoquinolin-1-yl]acetonitrile
SMILESCc1ccc(-c2cn(CC#N)c3cc(C)ccc3c2=O)cc1
InChIInChI=1S/C19H16N2O/c1-13-3-6-15(7-4-13)17-12-21(10-9-20)18-11-14(2)5-8-16(18)19(17)22/h3-8,11-12H,10H2,1-2H3
InChIKeyUFJHPOFAGODOJF-UHFFFAOYSA-N
XLogP3.81
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,7-dimethyl-3-(4-methylphenyl)quinolin-4-one
CID 59110361
2-(7-methyl-4-oxo-3-phenylquinolin-1-yl)-N-(4-methylphenyl)acetamide
CID 25016735
1-[2-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-2-oxoethyl]-7-methyl-3-phenylquinolin-4-one
CID 25018775
2-(7-methyl-4-oxo-3-phenylquinolin-1-yl)-N-(1-methylpyrazol-3-yl)acetamide
CID 25016476
2-(7-methyl-4-oxo-3-phenylquinolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 25015951
3-(4-chlorophenyl)-1,6-dimethylquinolin-4-one
CID 166443945
3-(4-bromophenyl)-1,6-dimethylquinolin-4-one
CID 166443946
1-[2-(dimethylamino)ethyl]-5,7-dimethyl-3-(4-methylphenyl)quinolin-4-one
CID 59110330
5-amino-1,7-dimethyl-3-(4-methylphenyl)quinolin-4-one
CID 59110393
3-(6-methyl-1-oxoisoquinolin-2-yl)propanenitrile
CID 82143580
2-ethyl-5-(1-ethyl-6-methylindol-3-yl)-1,3,4-oxadiazole
CID 58039124
2-[3-[(E)-[1-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]acetonitrile
CID 126240677

Frequently Asked Questions

What is the IUPAC name of 2-[7-methyl-3-(4-methylphenyl)-4-oxoquinolin-1-yl]acetonitrile?
The IUPAC name of 2-[7-methyl-3-(4-methylphenyl)-4-oxoquinolin-1-yl]acetonitrile (CID 59110332) is 2-[7-methyl-3-(4-methylphenyl)-4-oxoquinolin-1-yl]acetonitrile.
What is the SMILES notation for 2-[7-methyl-3-(4-methylphenyl)-4-oxoquinolin-1-yl]acetonitrile?
The canonical SMILES for 2-[7-methyl-3-(4-methylphenyl)-4-oxoquinolin-1-yl]acetonitrile is Cc1ccc(-c2cn(CC#N)c3cc(C)ccc3c2=O)cc1.
What is the InChIKey of 2-[7-methyl-3-(4-methylphenyl)-4-oxoquinolin-1-yl]acetonitrile?
The InChIKey is UFJHPOFAGODOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c1-13-3-6-15(7-4-13)17-12-21(10-9-20)18-11-14(2)5-8-16(18)19(17)22/h3-8,11-12H,10H2,1-2H3.
What are the key properties of 2-[7-methyl-3-(4-methylphenyl)-4-oxoquinolin-1-yl]acetonitrile?
2-[7-methyl-3-(4-methylphenyl)-4-oxoquinolin-1-yl]acetonitrile has a molecular weight of 288.35 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-methyl-3-(4-methylphenyl)-4-oxoquinolin-1-yl]acetonitrile is sourced from PubChem (CID 59110332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).