3-methyl-7-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-one

C17H18N6O — CID 126897138

IUPAC3-methyl-7-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-one
SMILESCn1cnc2cc(N3CCN(c4ccncn4)CC3)ccc2c1=O
InChIInChI=1S/C17H18N6O/c1-21-12-20-15-10-13(2-3-14(15)17(21)24)22-6-8-23(9-7-22)16-4-5-18-11-19-16/h2-5,10-12H,6-9H2,1H3
InChIKeyQVVLGRXCSXBADL-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.05
Rot. Bonds2

About 3-methyl-7-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-one

3-methyl-7-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-one (PubChem CID 126897138) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-methyl-7-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-one.

Molecular Properties

Compound Name3-methyl-7-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-one
PubChem CID126897138
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name3-methyl-7-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-one
SMILESCn1cnc2cc(N3CCN(c4ccncn4)CC3)ccc2c1=O
InChIInChI=1S/C17H18N6O/c1-21-12-20-15-10-13(2-3-14(15)17(21)24)22-6-8-23(9-7-22)16-4-5-18-11-19-16/h2-5,10-12H,6-9H2,1H3
InChIKeyQVVLGRXCSXBADL-UHFFFAOYSA-N
XLogP1.05
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896880
3-methyl-7-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]quinazolin-4-one
CID 126896954
3-methyl-7-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]quinazolin-4-one
CID 126896965
7-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896886
3-[4-(3-methyl-4-oxoquinazolin-7-yl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 126896874
3-methyl-7-[4-[(2-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126896972
3-methyl-7-[4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126896977
3-methyl-2-[4-(3-methyl-4-oxoquinazolin-7-yl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-4-one
CID 126897211
3-methyl-7-[4-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one
CID 126897212
3-propan-2-yl-7-(4-pyridin-4-ylpiperazin-1-yl)quinazolin-4-one
CID 126897323
3-methyl-7-[4-(1-methyl-2-oxopiperidin-3-yl)piperazin-1-yl]quinazolin-4-one
CID 126897105
3-(2-methoxyethyl)-7-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one
CID 126899083

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-one?
The IUPAC name of 3-methyl-7-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-one (CID 126897138) is 3-methyl-7-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-one.
What is the SMILES notation for 3-methyl-7-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-one?
The canonical SMILES for 3-methyl-7-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-one is Cn1cnc2cc(N3CCN(c4ccncn4)CC3)ccc2c1=O.
What is the InChIKey of 3-methyl-7-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-one?
The InChIKey is QVVLGRXCSXBADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-21-12-20-15-10-13(2-3-14(15)17(21)24)22-6-8-23(9-7-22)16-4-5-18-11-19-16/h2-5,10-12H,6-9H2,1H3.
What are the key properties of 3-methyl-7-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-one?
3-methyl-7-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-one has a molecular weight of 322.37 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-one is sourced from PubChem (CID 126897138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).