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

C23H13ClN4O — CID 134438330

IUPAC3-[8-(4-chlorophenyl)-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl]benzonitrile
SMILESN#Cc1cccc(-n2c(=O)[nH]c3cnc4ccc(-c5ccc(Cl)cc5)cc4c32)c1
InChIInChI=1S/C23H13ClN4O/c24-17-7-4-15(5-8-17)16-6-9-20-19(11-16)22-21(13-26-20)27-23(29)28(22)18-3-1-2-14(10-18)12-25/h1-11,13H,(H,27,29)
InChIKeyGPHYQAROPIHYIW-UHFFFAOYSA-N
MW396.84 g/mol
LogP5.06
Rot. Bonds2

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

3-[8-(4-chlorophenyl)-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl]benzonitrile (PubChem CID 134438330) has the molecular formula C23H13ClN4O and a molecular weight of 396.84 g/mol. Its IUPAC name is 3-[8-(4-chlorophenyl)-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl]benzonitrile.

Molecular Properties

Compound Name3-[8-(4-chlorophenyl)-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl]benzonitrile
PubChem CID134438330
Molecular FormulaC23H13ClN4O
Molecular Weight396.84 g/mol
Exact Mass396.08
IUPAC Name3-[8-(4-chlorophenyl)-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl]benzonitrile
SMILESN#Cc1cccc(-n2c(=O)[nH]c3cnc4ccc(-c5ccc(Cl)cc5)cc4c32)c1
InChIInChI=1S/C23H13ClN4O/c24-17-7-4-15(5-8-17)16-6-9-20-19(11-16)22-21(13-26-20)27-23(29)28(22)18-3-1-2-14(10-18)12-25/h1-11,13H,(H,27,29)
InChIKeyGPHYQAROPIHYIW-UHFFFAOYSA-N
XLogP5.06
TPSA74.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.84
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[8-(4-chlorophenyl)-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl]benzonitrile?
The IUPAC name of 3-[8-(4-chlorophenyl)-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl]benzonitrile (CID 134438330) is 3-[8-(4-chlorophenyl)-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl]benzonitrile.
What is the SMILES notation for 3-[8-(4-chlorophenyl)-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl]benzonitrile?
The canonical SMILES for 3-[8-(4-chlorophenyl)-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl]benzonitrile is N#Cc1cccc(-n2c(=O)[nH]c3cnc4ccc(-c5ccc(Cl)cc5)cc4c32)c1.
What is the InChIKey of 3-[8-(4-chlorophenyl)-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl]benzonitrile?
The InChIKey is GPHYQAROPIHYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13ClN4O/c24-17-7-4-15(5-8-17)16-6-9-20-19(11-16)22-21(13-26-20)27-23(29)28(22)18-3-1-2-14(10-18)12-25/h1-11,13H,(H,27,29).
What are the key properties of 3-[8-(4-chlorophenyl)-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl]benzonitrile?
3-[8-(4-chlorophenyl)-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl]benzonitrile has a molecular weight of 396.84 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(4-chlorophenyl)-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl]benzonitrile is sourced from PubChem (CID 134438330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).