3,5-difluoro-4-(8-hydroxy-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)benzonitrile

C19H12F2N4O3 — CID 56847219

IUPAC3,5-difluoro-4-(8-hydroxy-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)benzonitrile
SMILESCOc1cc2ncc3c(c2cc1O)n(-c1c(F)cc(C#N)cc1F)c(=O)n3C
InChIInChI=1S/C19H12F2N4O3/c1-24-14-8-23-13-6-16(28-2)15(26)5-10(13)17(14)25(19(24)27)18-11(20)3-9(7-22)4-12(18)21/h3-6,8,26H,1-2H3
InChIKeyIVQCNHHHHJROOY-UHFFFAOYSA-N
MW382.33 g/mol
LogP2.74
Rot. Bonds2

About 3,5-difluoro-4-(8-hydroxy-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)benzonitrile

3,5-difluoro-4-(8-hydroxy-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)benzonitrile (PubChem CID 56847219) has the molecular formula C19H12F2N4O3 and a molecular weight of 382.33 g/mol. Its IUPAC name is 3,5-difluoro-4-(8-hydroxy-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)benzonitrile.

Molecular Properties

Compound Name3,5-difluoro-4-(8-hydroxy-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)benzonitrile
PubChem CID56847219
Molecular FormulaC19H12F2N4O3
Molecular Weight382.33 g/mol
Exact Mass382.09
IUPAC Name3,5-difluoro-4-(8-hydroxy-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)benzonitrile
SMILESCOc1cc2ncc3c(c2cc1O)n(-c1c(F)cc(C#N)cc1F)c(=O)n3C
InChIInChI=1S/C19H12F2N4O3/c1-24-14-8-23-13-6-16(28-2)15(26)5-10(13)17(14)25(19(24)27)18-11(20)3-9(7-22)4-12(18)21/h3-6,8,26H,1-2H3
InChIKeyIVQCNHHHHJROOY-UHFFFAOYSA-N
XLogP2.74
TPSA93.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(8-hydroxy-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)benzonitrile?
The IUPAC name of 3,5-difluoro-4-(8-hydroxy-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)benzonitrile (CID 56847219) is 3,5-difluoro-4-(8-hydroxy-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)benzonitrile.
What is the SMILES notation for 3,5-difluoro-4-(8-hydroxy-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)benzonitrile?
The canonical SMILES for 3,5-difluoro-4-(8-hydroxy-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)benzonitrile is COc1cc2ncc3c(c2cc1O)n(-c1c(F)cc(C#N)cc1F)c(=O)n3C.
What is the InChIKey of 3,5-difluoro-4-(8-hydroxy-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)benzonitrile?
The InChIKey is IVQCNHHHHJROOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N4O3/c1-24-14-8-23-13-6-16(28-2)15(26)5-10(13)17(14)25(19(24)27)18-11(20)3-9(7-22)4-12(18)21/h3-6,8,26H,1-2H3.
What are the key properties of 3,5-difluoro-4-(8-hydroxy-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)benzonitrile?
3,5-difluoro-4-(8-hydroxy-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)benzonitrile has a molecular weight of 382.33 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(8-hydroxy-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)benzonitrile is sourced from PubChem (CID 56847219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).