3-methyl-1-(oxan-4-yl)-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one

C21H20N4O2 — CID 134163712

IUPAC3-methyl-1-(oxan-4-yl)-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)n(C2CCOCC2)c2c3cc(-c4cccnc4)ccc3ncc21
InChIInChI=1S/C21H20N4O2/c1-24-19-13-23-18-5-4-14(15-3-2-8-22-12-15)11-17(18)20(19)25(21(24)26)16-6-9-27-10-7-16/h2-5,8,11-13,16H,6-7,9-10H2,1H3
InChIKeyQPTLAOOZWOLYLB-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.30
Rot. Bonds2

About 3-methyl-1-(oxan-4-yl)-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one

3-methyl-1-(oxan-4-yl)-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one (PubChem CID 134163712) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 3-methyl-1-(oxan-4-yl)-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name3-methyl-1-(oxan-4-yl)-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one
PubChem CID134163712
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name3-methyl-1-(oxan-4-yl)-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)n(C2CCOCC2)c2c3cc(-c4cccnc4)ccc3ncc21
InChIInChI=1S/C21H20N4O2/c1-24-19-13-23-18-5-4-14(15-3-2-8-22-12-15)11-17(18)20(19)25(21(24)26)16-6-9-27-10-7-16/h2-5,8,11-13,16H,6-7,9-10H2,1H3
InChIKeyQPTLAOOZWOLYLB-UHFFFAOYSA-N
XLogP3.30
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(oxan-4-yl)-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 3-methyl-1-(oxan-4-yl)-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one (CID 134163712) is 3-methyl-1-(oxan-4-yl)-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 3-methyl-1-(oxan-4-yl)-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 3-methyl-1-(oxan-4-yl)-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one is Cn1c(=O)n(C2CCOCC2)c2c3cc(-c4cccnc4)ccc3ncc21.
What is the InChIKey of 3-methyl-1-(oxan-4-yl)-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one?
The InChIKey is QPTLAOOZWOLYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-24-19-13-23-18-5-4-14(15-3-2-8-22-12-15)11-17(18)20(19)25(21(24)26)16-6-9-27-10-7-16/h2-5,8,11-13,16H,6-7,9-10H2,1H3.
What are the key properties of 3-methyl-1-(oxan-4-yl)-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one?
3-methyl-1-(oxan-4-yl)-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one has a molecular weight of 360.42 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(oxan-4-yl)-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 134163712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).