3-(cyclopropylmethyl)-7-[4-(pyridazin-3-ylmethyl)piperazin-1-yl]quinazolin-4-one

C21H24N6O — CID 126897803

IUPAC3-(cyclopropylmethyl)-7-[4-(pyridazin-3-ylmethyl)piperazin-1-yl]quinazolin-4-one
SMILESO=c1c2ccc(N3CCN(Cc4cccnn4)CC3)cc2ncn1CC1CC1
InChIInChI=1S/C21H24N6O/c28-21-19-6-5-18(12-20(19)22-15-27(21)13-16-3-4-16)26-10-8-25(9-11-26)14-17-2-1-7-23-24-17/h1-2,5-7,12,15-16H,3-4,8-11,13-14H2
InChIKeyWHWNWJXWFOVARE-UHFFFAOYSA-N
MW376.46 g/mol
LogP1.92
Rot. Bonds5

About 3-(cyclopropylmethyl)-7-[4-(pyridazin-3-ylmethyl)piperazin-1-yl]quinazolin-4-one

3-(cyclopropylmethyl)-7-[4-(pyridazin-3-ylmethyl)piperazin-1-yl]quinazolin-4-one (PubChem CID 126897803) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-7-[4-(pyridazin-3-ylmethyl)piperazin-1-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-7-[4-(pyridazin-3-ylmethyl)piperazin-1-yl]quinazolin-4-one
PubChem CID126897803
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name3-(cyclopropylmethyl)-7-[4-(pyridazin-3-ylmethyl)piperazin-1-yl]quinazolin-4-one
SMILESO=c1c2ccc(N3CCN(Cc4cccnn4)CC3)cc2ncn1CC1CC1
InChIInChI=1S/C21H24N6O/c28-21-19-6-5-18(12-20(19)22-15-27(21)13-16-3-4-16)26-10-8-25(9-11-26)14-17-2-1-7-23-24-17/h1-2,5-7,12,15-16H,3-4,8-11,13-14H2
InChIKeyWHWNWJXWFOVARE-UHFFFAOYSA-N
XLogP1.92
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
3-(cyclopropylmethyl)-7-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one
CID 126897750
3-(cyclopropylmethyl)-7-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]quinazolin-4-one
CID 126897882
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-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]quinazolin-4-one
CID 126897768
3-(cyclopropylmethyl)-7-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]quinazolin-4-one
CID 126897751
7-[4-[(1-acetylpyrrolidin-3-yl)methyl]piperazin-1-yl]-3-(cyclopropylmethyl)quinazolin-4-one
CID 126897842
3-(cyclopropylmethyl)-7-[4-[2-(oxolan-2-yl)acetyl]piperazin-1-yl]quinazolin-4-one
CID 126897666
3-(2,2-difluoroethyl)-7-[4-(1,2,5-oxadiazol-3-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126898110

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-7-[4-(pyridazin-3-ylmethyl)piperazin-1-yl]quinazolin-4-one?
The IUPAC name of 3-(cyclopropylmethyl)-7-[4-(pyridazin-3-ylmethyl)piperazin-1-yl]quinazolin-4-one (CID 126897803) is 3-(cyclopropylmethyl)-7-[4-(pyridazin-3-ylmethyl)piperazin-1-yl]quinazolin-4-one.
What is the SMILES notation for 3-(cyclopropylmethyl)-7-[4-(pyridazin-3-ylmethyl)piperazin-1-yl]quinazolin-4-one?
The canonical SMILES for 3-(cyclopropylmethyl)-7-[4-(pyridazin-3-ylmethyl)piperazin-1-yl]quinazolin-4-one is O=c1c2ccc(N3CCN(Cc4cccnn4)CC3)cc2ncn1CC1CC1.
What is the InChIKey of 3-(cyclopropylmethyl)-7-[4-(pyridazin-3-ylmethyl)piperazin-1-yl]quinazolin-4-one?
The InChIKey is WHWNWJXWFOVARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c28-21-19-6-5-18(12-20(19)22-15-27(21)13-16-3-4-16)26-10-8-25(9-11-26)14-17-2-1-7-23-24-17/h1-2,5-7,12,15-16H,3-4,8-11,13-14H2.
What are the key properties of 3-(cyclopropylmethyl)-7-[4-(pyridazin-3-ylmethyl)piperazin-1-yl]quinazolin-4-one?
3-(cyclopropylmethyl)-7-[4-(pyridazin-3-ylmethyl)piperazin-1-yl]quinazolin-4-one has a molecular weight of 376.46 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-7-[4-(pyridazin-3-ylmethyl)piperazin-1-yl]quinazolin-4-one is sourced from PubChem (CID 126897803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).