1-methyl-8-quinolin-3-yl-3H-imidazo[4,5-c]quinolin-2-one

C20H14N4O — CID 69251341

IUPAC1-methyl-8-quinolin-3-yl-3H-imidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)[nH]c2cnc3ccc(-c4cnc5ccccc5c4)cc3c21
InChIInChI=1S/C20H14N4O/c1-24-19-15-9-12(6-7-17(15)22-11-18(19)23-20(24)25)14-8-13-4-2-3-5-16(13)21-10-14/h2-11H,1H3,(H,23,25)
InChIKeyOBUTXLJFLQHAHH-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.63
Rot. Bonds1

About 1-methyl-8-quinolin-3-yl-3H-imidazo[4,5-c]quinolin-2-one

1-methyl-8-quinolin-3-yl-3H-imidazo[4,5-c]quinolin-2-one (PubChem CID 69251341) has the molecular formula C20H14N4O and a molecular weight of 326.36 g/mol. Its IUPAC name is 1-methyl-8-quinolin-3-yl-3H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-methyl-8-quinolin-3-yl-3H-imidazo[4,5-c]quinolin-2-one
PubChem CID69251341
Molecular FormulaC20H14N4O
Molecular Weight326.36 g/mol
Exact Mass326.12
IUPAC Name1-methyl-8-quinolin-3-yl-3H-imidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)[nH]c2cnc3ccc(-c4cnc5ccccc5c4)cc3c21
InChIInChI=1S/C20H14N4O/c1-24-19-15-9-12(6-7-17(15)22-11-18(19)23-20(24)25)14-8-13-4-2-3-5-16(13)21-10-14/h2-11H,1H3,(H,23,25)
InChIKeyOBUTXLJFLQHAHH-UHFFFAOYSA-N
XLogP3.63
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-quinolin-3-yl-3H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-methyl-8-quinolin-3-yl-3H-imidazo[4,5-c]quinolin-2-one (CID 69251341) is 1-methyl-8-quinolin-3-yl-3H-imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-methyl-8-quinolin-3-yl-3H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-methyl-8-quinolin-3-yl-3H-imidazo[4,5-c]quinolin-2-one is Cn1c(=O)[nH]c2cnc3ccc(-c4cnc5ccccc5c4)cc3c21.
What is the InChIKey of 1-methyl-8-quinolin-3-yl-3H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is OBUTXLJFLQHAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O/c1-24-19-15-9-12(6-7-17(15)22-11-18(19)23-20(24)25)14-8-13-4-2-3-5-16(13)21-10-14/h2-11H,1H3,(H,23,25).
What are the key properties of 1-methyl-8-quinolin-3-yl-3H-imidazo[4,5-c]quinolin-2-one?
1-methyl-8-quinolin-3-yl-3H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 326.36 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-quinolin-3-yl-3H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 69251341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).