3-(cyclopropylmethyl)-7-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one

C21H24N6O — CID 126897750

IUPAC3-(cyclopropylmethyl)-7-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one
SMILESCc1nccc(N2CCN(c3ccc4c(=O)n(CC5CC5)cnc4c3)CC2)n1
InChIInChI=1S/C21H24N6O/c1-15-22-7-6-20(24-15)26-10-8-25(9-11-26)17-4-5-18-19(12-17)23-14-27(21(18)28)13-16-2-3-16/h4-7,12,14,16H,2-3,8-11,13H2,1H3
InChIKeyNOYAJLIQNOQPEQ-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.23
Rot. Bonds4

About 3-(cyclopropylmethyl)-7-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one

3-(cyclopropylmethyl)-7-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one (PubChem CID 126897750) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-7-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-7-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one
PubChem CID126897750
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name3-(cyclopropylmethyl)-7-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one
SMILESCc1nccc(N2CCN(c3ccc4c(=O)n(CC5CC5)cnc4c3)CC2)n1
InChIInChI=1S/C21H24N6O/c1-15-22-7-6-20(24-15)26-10-8-25(9-11-26)17-4-5-18-19(12-17)23-14-27(21(18)28)13-16-2-3-16/h4-7,12,14,16H,2-3,8-11,13H2,1H3
InChIKeyNOYAJLIQNOQPEQ-UHFFFAOYSA-N
XLogP2.23
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(cyclopropylmethyl)-7-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]quinazolin-4-one
CID 126897751
3-(cyclopropylmethyl)-7-[4-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one
CID 126897793
7-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-3-(cyclopropylmethyl)quinazolin-4-one
CID 126897722
3-(cyclopropylmethyl)-7-[4-(2-hydroxycyclopentyl)piperazin-1-yl]quinazolin-4-one
CID 126897903
3-(cyclopropylmethyl)-7-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]quinazolin-4-one
CID 126897882
3-(cyclopropylmethyl)-7-[4-(pyridazin-3-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126897803
7-[4-(2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-3-(2,2-difluoroethyl)quinazolin-4-one
CID 126898220
3-(cyclopropylmethyl)-7-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]quinazolin-4-one
CID 126897686
3-(2-hydroxyethyl)-7-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one
CID 126898859
3-(cyclopropylmethyl)-7-[4-[(1-methyl-6-oxopyridazin-3-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126897780
3-(cyclopropylmethyl)-7-[4-(oxolan-2-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126897874
7-[4-[(1-acetylpyrrolidin-3-yl)methyl]piperazin-1-yl]-3-(cyclopropylmethyl)quinazolin-4-one
CID 126897842

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-7-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one?
The IUPAC name of 3-(cyclopropylmethyl)-7-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one (CID 126897750) is 3-(cyclopropylmethyl)-7-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one.
What is the SMILES notation for 3-(cyclopropylmethyl)-7-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one?
The canonical SMILES for 3-(cyclopropylmethyl)-7-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one is Cc1nccc(N2CCN(c3ccc4c(=O)n(CC5CC5)cnc4c3)CC2)n1.
What is the InChIKey of 3-(cyclopropylmethyl)-7-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one?
The InChIKey is NOYAJLIQNOQPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-15-22-7-6-20(24-15)26-10-8-25(9-11-26)17-4-5-18-19(12-17)23-14-27(21(18)28)13-16-2-3-16/h4-7,12,14,16H,2-3,8-11,13H2,1H3.
What are the key properties of 3-(cyclopropylmethyl)-7-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one?
3-(cyclopropylmethyl)-7-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one has a molecular weight of 376.46 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-7-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one is sourced from PubChem (CID 126897750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).