7-methoxy-3-[[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one

C22H24N6O2 — CID 154581298

IUPAC7-methoxy-3-[[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one
SMILESCOc1ccc2c(=O)n(CC3CCN(c4nc5cccnc5n4C)CC3)cnc2c1
InChIInChI=1S/C22H24N6O2/c1-26-20-18(4-3-9-23-20)25-22(26)27-10-7-15(8-11-27)13-28-14-24-19-12-16(30-2)5-6-17(19)21(28)29/h3-6,9,12,14-15H,7-8,10-11,13H2,1-2H3
InChIKeyKROKMNRQPIRIJC-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.60
Rot. Bonds4

About 7-methoxy-3-[[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one

7-methoxy-3-[[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one (PubChem CID 154581298) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 7-methoxy-3-[[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name7-methoxy-3-[[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one
PubChem CID154581298
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name7-methoxy-3-[[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one
SMILESCOc1ccc2c(=O)n(CC3CCN(c4nc5cccnc5n4C)CC3)cnc2c1
InChIInChI=1S/C22H24N6O2/c1-26-20-18(4-3-9-23-20)25-22(26)27-10-7-15(8-11-27)13-28-14-24-19-12-16(30-2)5-6-17(19)21(28)29/h3-6,9,12,14-15H,7-8,10-11,13H2,1-2H3
InChIKeyKROKMNRQPIRIJC-UHFFFAOYSA-N
XLogP2.60
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-[[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one?
The IUPAC name of 7-methoxy-3-[[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one (CID 154581298) is 7-methoxy-3-[[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 7-methoxy-3-[[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one?
The canonical SMILES for 7-methoxy-3-[[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one is COc1ccc2c(=O)n(CC3CCN(c4nc5cccnc5n4C)CC3)cnc2c1.
What is the InChIKey of 7-methoxy-3-[[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one?
The InChIKey is KROKMNRQPIRIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-26-20-18(4-3-9-23-20)25-22(26)27-10-7-15(8-11-27)13-28-14-24-19-12-16(30-2)5-6-17(19)21(28)29/h3-6,9,12,14-15H,7-8,10-11,13H2,1-2H3.
What are the key properties of 7-methoxy-3-[[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one?
7-methoxy-3-[[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one has a molecular weight of 404.47 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-[[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 154581298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).