2-(1-methyl-2-oxo-6-propan-2-ylquinolin-3-yl)acetonitrile

C15H16N2O — CID 84629708

IUPAC2-(1-methyl-2-oxo-6-propan-2-ylquinolin-3-yl)acetonitrile
SMILESCC(C)c1ccc2c(c1)cc(CC#N)c(=O)n2C
InChIInChI=1S/C15H16N2O/c1-10(2)11-4-5-14-13(8-11)9-12(6-7-16)15(18)17(14)3/h4-5,8-10H,6H2,1-3H3
InChIKeyWJSOZBGFZADEDJ-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.73
Rot. Bonds2

About 2-(1-methyl-2-oxo-6-propan-2-ylquinolin-3-yl)acetonitrile

2-(1-methyl-2-oxo-6-propan-2-ylquinolin-3-yl)acetonitrile (PubChem CID 84629708) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-(1-methyl-2-oxo-6-propan-2-ylquinolin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(1-methyl-2-oxo-6-propan-2-ylquinolin-3-yl)acetonitrile
PubChem CID84629708
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name2-(1-methyl-2-oxo-6-propan-2-ylquinolin-3-yl)acetonitrile
SMILESCC(C)c1ccc2c(c1)cc(CC#N)c(=O)n2C
InChIInChI=1S/C15H16N2O/c1-10(2)11-4-5-14-13(8-11)9-12(6-7-16)15(18)17(14)3/h4-5,8-10H,6H2,1-3H3
InChIKeyWJSOZBGFZADEDJ-UHFFFAOYSA-N
XLogP2.73
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-aminopropyl)-1-methyl-6-propan-2-ylquinolin-2-one
CID 84637230
1-(1-methyl-5-propan-2-ylindol-2-yl)ethanamine
CID 84622419
2-(8-methoxy-1-methyl-2-oxoquinolin-3-yl)acetonitrile
CID 84625419
1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one
CID 59333227
2-[1-cyclopropyl-2-oxo-6-(4-propan-2-ylphenyl)-3-pyridinyl]acetonitrile
CID 82520396
2-(6-fluoro-1-methyl-2-oxoquinolin-3-yl)propanenitrile
CID 84625979
2-[4-(4-propan-2-ylphenyl)phenyl]acetonitrile
CID 82083442
1-ethyl-2-methyl-5-propan-2-ylindole
CID 155701279
2-[(1,3-dimethyl-2-oxoquinolin-6-yl)amino]ethene-1,1,2-tricarbonitrile
CID 168608762
2-[1-(2-methoxyethyl)-2-oxo-6-propan-2-yl-3-pyridinyl]acetonitrile
CID 82524085
4-[(1,3-dimethyl-2-oxoquinolin-6-yl)amino]sulfanyl-3-propan-2-ylbenzonitrile
CID 176970108
3-chloro-5-methyl-8-propan-2-ylphenanthridin-6-one
CID 178050308

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2-oxo-6-propan-2-ylquinolin-3-yl)acetonitrile?
The IUPAC name of 2-(1-methyl-2-oxo-6-propan-2-ylquinolin-3-yl)acetonitrile (CID 84629708) is 2-(1-methyl-2-oxo-6-propan-2-ylquinolin-3-yl)acetonitrile.
What is the SMILES notation for 2-(1-methyl-2-oxo-6-propan-2-ylquinolin-3-yl)acetonitrile?
The canonical SMILES for 2-(1-methyl-2-oxo-6-propan-2-ylquinolin-3-yl)acetonitrile is CC(C)c1ccc2c(c1)cc(CC#N)c(=O)n2C.
What is the InChIKey of 2-(1-methyl-2-oxo-6-propan-2-ylquinolin-3-yl)acetonitrile?
The InChIKey is WJSOZBGFZADEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-10(2)11-4-5-14-13(8-11)9-12(6-7-16)15(18)17(14)3/h4-5,8-10H,6H2,1-3H3.
What are the key properties of 2-(1-methyl-2-oxo-6-propan-2-ylquinolin-3-yl)acetonitrile?
2-(1-methyl-2-oxo-6-propan-2-ylquinolin-3-yl)acetonitrile has a molecular weight of 240.31 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2-oxo-6-propan-2-ylquinolin-3-yl)acetonitrile is sourced from PubChem (CID 84629708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).