4-(7,8-dimethoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)benzonitrile

C19H14N4O3 — CID 56837160

IUPAC4-(7,8-dimethoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)benzonitrile
SMILESCOc1cc2ncc3[nH]c(=O)n(-c4ccc(C#N)cc4)c3c2cc1OC
InChIInChI=1S/C19H14N4O3/c1-25-16-7-13-14(8-17(16)26-2)21-10-15-18(13)23(19(24)22-15)12-5-3-11(9-20)4-6-12/h3-8,10H,1-2H3,(H,22,24)
InChIKeyHAYQMVYJPJNYPC-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.76
Rot. Bonds3

About 4-(7,8-dimethoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)benzonitrile

4-(7,8-dimethoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)benzonitrile (PubChem CID 56837160) has the molecular formula C19H14N4O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is 4-(7,8-dimethoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)benzonitrile.

Molecular Properties

Compound Name4-(7,8-dimethoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)benzonitrile
PubChem CID56837160
Molecular FormulaC19H14N4O3
Molecular Weight346.35 g/mol
Exact Mass346.11
IUPAC Name4-(7,8-dimethoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)benzonitrile
SMILESCOc1cc2ncc3[nH]c(=O)n(-c4ccc(C#N)cc4)c3c2cc1OC
InChIInChI=1S/C19H14N4O3/c1-25-16-7-13-14(8-17(16)26-2)21-10-15-18(13)23(19(24)22-15)12-5-3-11(9-20)4-6-12/h3-8,10H,1-2H3,(H,22,24)
InChIKeyHAYQMVYJPJNYPC-UHFFFAOYSA-N
XLogP2.76
TPSA92.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(7,8-dimethoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(7,8-dimethoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)benzonitrile?
The IUPAC name of 4-(7,8-dimethoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)benzonitrile (CID 56837160) is 4-(7,8-dimethoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)benzonitrile.
What is the SMILES notation for 4-(7,8-dimethoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)benzonitrile?
The canonical SMILES for 4-(7,8-dimethoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)benzonitrile is COc1cc2ncc3[nH]c(=O)n(-c4ccc(C#N)cc4)c3c2cc1OC.
What is the InChIKey of 4-(7,8-dimethoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)benzonitrile?
The InChIKey is HAYQMVYJPJNYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3/c1-25-16-7-13-14(8-17(16)26-2)21-10-15-18(13)23(19(24)22-15)12-5-3-11(9-20)4-6-12/h3-8,10H,1-2H3,(H,22,24).
What are the key properties of 4-(7,8-dimethoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)benzonitrile?
4-(7,8-dimethoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)benzonitrile has a molecular weight of 346.35 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7,8-dimethoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)benzonitrile is sourced from PubChem (CID 56837160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).