4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile

C24H18N4O3S — CID 56847525

IUPAC4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile
SMILESCOc1cc2ncc3c(c2cc1OCc1cccs1)n(-c1ccc(C#N)cc1)c(=O)n3C
InChIInChI=1S/C24H18N4O3S/c1-27-20-13-26-19-11-21(30-2)22(31-14-17-4-3-9-32-17)10-18(19)23(20)28(24(27)29)16-7-5-15(12-25)6-8-16/h3-11,13H,14H2,1-2H3
InChIKeyFGYCHNTUOXKYGT-UHFFFAOYSA-N
MW442.50 g/mol
LogP4.40
Rot. Bonds5

About 4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile

4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile (PubChem CID 56847525) has the molecular formula C24H18N4O3S and a molecular weight of 442.50 g/mol. Its IUPAC name is 4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile
PubChem CID56847525
Molecular FormulaC24H18N4O3S
Molecular Weight442.50 g/mol
Exact Mass442.11
IUPAC Name4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile
SMILESCOc1cc2ncc3c(c2cc1OCc1cccs1)n(-c1ccc(C#N)cc1)c(=O)n3C
InChIInChI=1S/C24H18N4O3S/c1-27-20-13-26-19-11-21(30-2)22(31-14-17-4-3-9-32-17)10-18(19)23(20)28(24(27)29)16-7-5-15(12-25)6-8-16/h3-11,13H,14H2,1-2H3
InChIKeyFGYCHNTUOXKYGT-UHFFFAOYSA-N
XLogP4.40
TPSA82.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile?
The IUPAC name of 4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile (CID 56847525) is 4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile.
What is the SMILES notation for 4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile?
The canonical SMILES for 4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile is COc1cc2ncc3c(c2cc1OCc1cccs1)n(-c1ccc(C#N)cc1)c(=O)n3C.
What is the InChIKey of 4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile?
The InChIKey is FGYCHNTUOXKYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O3S/c1-27-20-13-26-19-11-21(30-2)22(31-14-17-4-3-9-32-17)10-18(19)23(20)28(24(27)29)16-7-5-15(12-25)6-8-16/h3-11,13H,14H2,1-2H3.
What are the key properties of 4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile?
4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile has a molecular weight of 442.50 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile is sourced from PubChem (CID 56847525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).