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

C27H23N5O — CID 11978438

IUPAC2-[4-(3-ethyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]-2-methylpropanenitrile
SMILESCCn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cccnc4)ccc3ncc21
InChIInChI=1S/C27H23N5O/c1-4-31-24-16-30-23-12-7-18(19-6-5-13-29-15-19)14-22(23)25(24)32(26(31)33)21-10-8-20(9-11-21)27(2,3)17-28/h5-16H,4H2,1-3H3
InChIKeyWAZLUNSYMDAJNV-UHFFFAOYSA-N
MW433.52 g/mol
LogP5.22
Rot. Bonds4

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

2-[4-(3-ethyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]-2-methylpropanenitrile (PubChem CID 11978438) has the molecular formula C27H23N5O and a molecular weight of 433.52 g/mol. Its IUPAC name is 2-[4-(3-ethyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[4-(3-ethyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]-2-methylpropanenitrile
PubChem CID11978438
Molecular FormulaC27H23N5O
Molecular Weight433.52 g/mol
Exact Mass433.19
IUPAC Name2-[4-(3-ethyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]-2-methylpropanenitrile
SMILESCCn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cccnc4)ccc3ncc21
InChIInChI=1S/C27H23N5O/c1-4-31-24-16-30-23-12-7-18(19-6-5-13-29-15-19)14-22(23)25(24)32(26(31)33)21-10-8-20(9-11-21)27(2,3)17-28/h5-16H,4H2,1-3H3
InChIKeyWAZLUNSYMDAJNV-UHFFFAOYSA-N
XLogP5.22
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.52
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-ethyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]-2-methylpropanenitrile?
The IUPAC name of 2-[4-(3-ethyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]-2-methylpropanenitrile (CID 11978438) is 2-[4-(3-ethyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[4-(3-ethyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]-2-methylpropanenitrile?
The canonical SMILES for 2-[4-(3-ethyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]-2-methylpropanenitrile is CCn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cccnc4)ccc3ncc21.
What is the InChIKey of 2-[4-(3-ethyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]-2-methylpropanenitrile?
The InChIKey is WAZLUNSYMDAJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O/c1-4-31-24-16-30-23-12-7-18(19-6-5-13-29-15-19)14-22(23)25(24)32(26(31)33)21-10-8-20(9-11-21)27(2,3)17-28/h5-16H,4H2,1-3H3.
What are the key properties of 2-[4-(3-ethyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]-2-methylpropanenitrile?
2-[4-(3-ethyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]-2-methylpropanenitrile has a molecular weight of 433.52 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]-2-methylpropanenitrile is sourced from PubChem (CID 11978438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).