2-methyl-2-[4-(3-methyl-2-oxo-8-pyridin-4-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile

C26H21N5O — CID 11957743

IUPAC2-methyl-2-[4-(3-methyl-2-oxo-8-pyridin-4-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile
SMILESCn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4ccncc4)ccc3ncc21
InChIInChI=1S/C26H21N5O/c1-26(2,16-27)19-5-7-20(8-6-19)31-24-21-14-18(17-10-12-28-13-11-17)4-9-22(21)29-15-23(24)30(3)25(31)32/h4-15H,1-3H3
InChIKeyXXOBTXCWMQBRGZ-UHFFFAOYSA-N
MW419.49 g/mol
LogP4.74
Rot. Bonds3

About 2-methyl-2-[4-(3-methyl-2-oxo-8-pyridin-4-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile

2-methyl-2-[4-(3-methyl-2-oxo-8-pyridin-4-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile (PubChem CID 11957743) has the molecular formula C26H21N5O and a molecular weight of 419.49 g/mol. Its IUPAC name is 2-methyl-2-[4-(3-methyl-2-oxo-8-pyridin-4-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[4-(3-methyl-2-oxo-8-pyridin-4-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile
PubChem CID11957743
Molecular FormulaC26H21N5O
Molecular Weight419.49 g/mol
Exact Mass419.17
IUPAC Name2-methyl-2-[4-(3-methyl-2-oxo-8-pyridin-4-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile
SMILESCn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4ccncc4)ccc3ncc21
InChIInChI=1S/C26H21N5O/c1-26(2,16-27)19-5-7-20(8-6-19)31-24-21-14-18(17-10-12-28-13-11-17)4-9-22(21)29-15-23(24)30(3)25(31)32/h4-15H,1-3H3
InChIKeyXXOBTXCWMQBRGZ-UHFFFAOYSA-N
XLogP4.74
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-2-[4-(3-methyl-2-oxo-8-pyridin-4-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile with MolForge

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Related Compounds

Dactolisib
CID 11977753
Panulisib
CID 56947515
Bag-956
CID 24882589
1-[2-(Dimethylamino)ethyl]-3-[3-fluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea
CID 163286284
ATM Inhibitor-3
CID 163286301
1-[2-(Dimethylamino)ethyl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea
CID 163286306
1-[4-[1-(2-Methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-(1-methylazetidin-3-yl)urea
CID 163286312
1-[4-[1-(2-Methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-(1-methylpyrrolidin-3-yl)urea
CID 163286325
1-[2-(Dimethylamino)ethyl]-3-[4-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea
CID 163286331
1-[2-(Azetidin-1-yl)ethyl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea
CID 163286352
1-[4-[1-(2-Methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-(1-methylpiperidin-3-yl)urea
CID 163286354
US20230348462, Example 52
CID 163286355

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(3-methyl-2-oxo-8-pyridin-4-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile?
The IUPAC name of 2-methyl-2-[4-(3-methyl-2-oxo-8-pyridin-4-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile (CID 11957743) is 2-methyl-2-[4-(3-methyl-2-oxo-8-pyridin-4-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile.
What is the SMILES notation for 2-methyl-2-[4-(3-methyl-2-oxo-8-pyridin-4-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile?
The canonical SMILES for 2-methyl-2-[4-(3-methyl-2-oxo-8-pyridin-4-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile is Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4ccncc4)ccc3ncc21.
What is the InChIKey of 2-methyl-2-[4-(3-methyl-2-oxo-8-pyridin-4-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile?
The InChIKey is XXOBTXCWMQBRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O/c1-26(2,16-27)19-5-7-20(8-6-19)31-24-21-14-18(17-10-12-28-13-11-17)4-9-22(21)29-15-23(24)30(3)25(31)32/h4-15H,1-3H3.
What are the key properties of 2-methyl-2-[4-(3-methyl-2-oxo-8-pyridin-4-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile?
2-methyl-2-[4-(3-methyl-2-oxo-8-pyridin-4-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile has a molecular weight of 419.49 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(3-methyl-2-oxo-8-pyridin-4-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile is sourced from PubChem (CID 11957743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).