7-methoxy-3-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one

C23H23N5O3 — CID 154582908

IUPAC7-methoxy-3-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one
SMILESCOc1ccc2c(=O)n(CC3CCN(c4cc(=O)n5ccccc5n4)CC3)cnc2c1
InChIInChI=1S/C23H23N5O3/c1-31-17-5-6-18-19(12-17)24-15-27(23(18)30)14-16-7-10-26(11-8-16)21-13-22(29)28-9-3-2-4-20(28)25-21/h2-6,9,12-13,15-16H,7-8,10-11,14H2,1H3
InChIKeyDCMZLHCHXGEWSP-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.33
Rot. Bonds4

About 7-methoxy-3-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one

7-methoxy-3-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one (PubChem CID 154582908) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 7-methoxy-3-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name7-methoxy-3-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one
PubChem CID154582908
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name7-methoxy-3-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one
SMILESCOc1ccc2c(=O)n(CC3CCN(c4cc(=O)n5ccccc5n4)CC3)cnc2c1
InChIInChI=1S/C23H23N5O3/c1-31-17-5-6-18-19(12-17)24-15-27(23(18)30)14-16-7-10-26(11-8-16)21-13-22(29)28-9-3-2-4-20(28)25-21/h2-6,9,12-13,15-16H,7-8,10-11,14H2,1H3
InChIKeyDCMZLHCHXGEWSP-UHFFFAOYSA-N
XLogP2.33
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-methoxy-3-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one with MolForge

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Related Compounds

7-methoxy-3-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]quinazolin-4-one
CID 154581310
7-methoxy-3-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]quinazolin-4-one
CID 154581150
3-[[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one
CID 154581284
7-methoxy-3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 154883158
7-methoxy-3-[[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one
CID 154581298
3-(azetidin-3-ylmethyl)-7-methoxyquinazolin-4-one
CID 117264303
3-[[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one
CID 154581941
3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one
CID 154582915
5-chloro-6-[4-[(7-methoxy-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]pyridine-3-carbonitrile
CID 154581258
7-methoxy-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 154581868
3-[[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one
CID 154830140
3-(cyclopropylmethyl)-7-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one
CID 126897750

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one?
The IUPAC name of 7-methoxy-3-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one (CID 154582908) is 7-methoxy-3-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 7-methoxy-3-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one?
The canonical SMILES for 7-methoxy-3-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one is COc1ccc2c(=O)n(CC3CCN(c4cc(=O)n5ccccc5n4)CC3)cnc2c1.
What is the InChIKey of 7-methoxy-3-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one?
The InChIKey is DCMZLHCHXGEWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-31-17-5-6-18-19(12-17)24-15-27(23(18)30)14-16-7-10-26(11-8-16)21-13-22(29)28-9-3-2-4-20(28)25-21/h2-6,9,12-13,15-16H,7-8,10-11,14H2,1H3.
What are the key properties of 7-methoxy-3-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one?
7-methoxy-3-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one has a molecular weight of 417.47 g/mol, XLogP of 2.33, 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-(4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 154582908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).