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

C26H21N5O — CID 11977649

IUPAC2-methyl-2-[4-(3-methyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile
SMILESCn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cccnc4)ccc3ncc21
InChIInChI=1S/C26H21N5O/c1-26(2,16-27)19-7-9-20(10-8-19)31-24-21-13-17(18-5-4-12-28-14-18)6-11-22(21)29-15-23(24)30(3)25(31)32/h4-15H,1-3H3
InChIKeyYSXJHFWGXHYELB-UHFFFAOYSA-N
MW419.49 g/mol
LogP4.74
Rot. Bonds3

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

2-methyl-2-[4-(3-methyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile (PubChem CID 11977649) 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-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[4-(3-methyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile
PubChem CID11977649
Molecular FormulaC26H21N5O
Molecular Weight419.49 g/mol
Exact Mass419.17
IUPAC Name2-methyl-2-[4-(3-methyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile
SMILESCn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cccnc4)ccc3ncc21
InChIInChI=1S/C26H21N5O/c1-26(2,16-27)19-7-9-20(10-8-19)31-24-21-13-17(18-5-4-12-28-14-18)6-11-22(21)29-15-23(24)30(3)25(31)32/h4-15H,1-3H3
InChIKeyYSXJHFWGXHYELB-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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(3-methyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile?
The IUPAC name of 2-methyl-2-[4-(3-methyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile (CID 11977649) is 2-methyl-2-[4-(3-methyl-2-oxo-8-pyridin-3-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-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile?
The canonical SMILES for 2-methyl-2-[4-(3-methyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile is Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cccnc4)ccc3ncc21.
What is the InChIKey of 2-methyl-2-[4-(3-methyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile?
The InChIKey is YSXJHFWGXHYELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O/c1-26(2,16-27)19-7-9-20(10-8-19)31-24-21-13-17(18-5-4-12-28-14-18)6-11-22(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-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile?
2-methyl-2-[4-(3-methyl-2-oxo-8-pyridin-3-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-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile is sourced from PubChem (CID 11977649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).