3-methyl-7-[4-(1-methyl-2-oxopiperidin-3-yl)piperazin-1-yl]quinazolin-4-one

C19H25N5O2 — CID 126897105

IUPAC3-methyl-7-[4-(1-methyl-2-oxopiperidin-3-yl)piperazin-1-yl]quinazolin-4-one
SMILESCN1CCCC(N2CCN(c3ccc4c(=O)n(C)cnc4c3)CC2)C1=O
InChIInChI=1S/C19H25N5O2/c1-21-7-3-4-17(19(21)26)24-10-8-23(9-11-24)14-5-6-15-16(12-14)20-13-22(2)18(15)25/h5-6,12-13,17H,3-4,7-11H2,1-2H3
InChIKeyJKPXYSQPWOIFHK-UHFFFAOYSA-N
MW355.44 g/mol
LogP0.68
Rot. Bonds2

About 3-methyl-7-[4-(1-methyl-2-oxopiperidin-3-yl)piperazin-1-yl]quinazolin-4-one

3-methyl-7-[4-(1-methyl-2-oxopiperidin-3-yl)piperazin-1-yl]quinazolin-4-one (PubChem CID 126897105) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-methyl-7-[4-(1-methyl-2-oxopiperidin-3-yl)piperazin-1-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-methyl-7-[4-(1-methyl-2-oxopiperidin-3-yl)piperazin-1-yl]quinazolin-4-one
PubChem CID126897105
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name3-methyl-7-[4-(1-methyl-2-oxopiperidin-3-yl)piperazin-1-yl]quinazolin-4-one
SMILESCN1CCCC(N2CCN(c3ccc4c(=O)n(C)cnc4c3)CC2)C1=O
InChIInChI=1S/C19H25N5O2/c1-21-7-3-4-17(19(21)26)24-10-8-23(9-11-24)14-5-6-15-16(12-14)20-13-22(2)18(15)25/h5-6,12-13,17H,3-4,7-11H2,1-2H3
InChIKeyJKPXYSQPWOIFHK-UHFFFAOYSA-N
XLogP0.68
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896770
7-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896886
7-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896880
3-methyl-7-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-one
CID 126897138
3-[4-(3-methyl-4-oxoquinazolin-7-yl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 126896874
3-(2-methoxyethyl)-7-[4-(2-oxoazepan-3-yl)piperazin-1-yl]quinazolin-4-one
CID 126899193
3-methyl-7-[4-[(2-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126896972
3-methyl-7-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]quinazolin-4-one
CID 126896954
7-(4-cyclopentylpiperazin-1-yl)-3-propan-2-ylquinazolin-4-one
CID 126897338
3-methyl-2-[4-(3-methyl-4-oxoquinazolin-7-yl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-4-one
CID 126897211
7-[4-[(1,1-dioxothiolan-3-yl)methyl]piperazin-1-yl]-3-methylquinazolin-4-one
CID 126897115
3-methyl-7-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]quinazolin-4-one
CID 126896965

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[4-(1-methyl-2-oxopiperidin-3-yl)piperazin-1-yl]quinazolin-4-one?
The IUPAC name of 3-methyl-7-[4-(1-methyl-2-oxopiperidin-3-yl)piperazin-1-yl]quinazolin-4-one (CID 126897105) is 3-methyl-7-[4-(1-methyl-2-oxopiperidin-3-yl)piperazin-1-yl]quinazolin-4-one.
What is the SMILES notation for 3-methyl-7-[4-(1-methyl-2-oxopiperidin-3-yl)piperazin-1-yl]quinazolin-4-one?
The canonical SMILES for 3-methyl-7-[4-(1-methyl-2-oxopiperidin-3-yl)piperazin-1-yl]quinazolin-4-one is CN1CCCC(N2CCN(c3ccc4c(=O)n(C)cnc4c3)CC2)C1=O.
What is the InChIKey of 3-methyl-7-[4-(1-methyl-2-oxopiperidin-3-yl)piperazin-1-yl]quinazolin-4-one?
The InChIKey is JKPXYSQPWOIFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-21-7-3-4-17(19(21)26)24-10-8-23(9-11-24)14-5-6-15-16(12-14)20-13-22(2)18(15)25/h5-6,12-13,17H,3-4,7-11H2,1-2H3.
What are the key properties of 3-methyl-7-[4-(1-methyl-2-oxopiperidin-3-yl)piperazin-1-yl]quinazolin-4-one?
3-methyl-7-[4-(1-methyl-2-oxopiperidin-3-yl)piperazin-1-yl]quinazolin-4-one has a molecular weight of 355.44 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[4-(1-methyl-2-oxopiperidin-3-yl)piperazin-1-yl]quinazolin-4-one is sourced from PubChem (CID 126897105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).