3-(cyclopropylmethyl)-7-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]quinazolin-4-one

C20H22N6O2 — CID 126897882

IUPAC3-(cyclopropylmethyl)-7-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]quinazolin-4-one
SMILESO=c1[nH]ccnc1N1CCN(c2ccc3c(=O)n(CC4CC4)cnc3c2)CC1
InChIInChI=1S/C20H22N6O2/c27-19-18(21-5-6-22-19)25-9-7-24(8-10-25)15-3-4-16-17(11-15)23-13-26(20(16)28)12-14-1-2-14/h3-6,11,13-14H,1-2,7-10,12H2,(H,22,27)
InChIKeyADVPJHJHOOMIPO-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.22
Rot. Bonds4

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

3-(cyclopropylmethyl)-7-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]quinazolin-4-one (PubChem CID 126897882) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-7-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-7-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]quinazolin-4-one
PubChem CID126897882
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name3-(cyclopropylmethyl)-7-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]quinazolin-4-one
SMILESO=c1[nH]ccnc1N1CCN(c2ccc3c(=O)n(CC4CC4)cnc3c2)CC1
InChIInChI=1S/C20H22N6O2/c27-19-18(21-5-6-22-19)25-9-7-24(8-10-25)15-3-4-16-17(11-15)23-13-26(20(16)28)12-14-1-2-14/h3-6,11,13-14H,1-2,7-10,12H2,(H,22,27)
InChIKeyADVPJHJHOOMIPO-UHFFFAOYSA-N
XLogP1.22
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(cyclopropylmethyl)-7-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one
CID 126897750
3-(cyclopropylmethyl)-7-[4-(2-hydroxycyclopentyl)piperazin-1-yl]quinazolin-4-one
CID 126897903
7-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-3-(cyclopropylmethyl)quinazolin-4-one
CID 126897722
3-(cyclopropylmethyl)-7-[4-(pyridazin-3-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126897803
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
3-(cyclopropylmethyl)-7-[4-(oxolan-2-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126897874
3-(cyclopropylmethyl)-7-[4-[(1-methyl-6-oxopyridazin-3-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126897780
7-[4-(4-cyclopropyl-3-oxopyrazin-2-yl)piperazin-1-yl]-3-(2,2-difluoroethyl)quinazolin-4-one
CID 126898256
7-[4-[(1-acetylpyrrolidin-3-yl)methyl]piperazin-1-yl]-3-(cyclopropylmethyl)quinazolin-4-one
CID 126897842
7-[4-(3-cyclopropylpyrazin-2-yl)piperazin-1-yl]-3-(2,2-difluoroethyl)quinazolin-4-one
CID 126898211
3-(2-hydroxyethyl)-7-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one
CID 126898945

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-7-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]quinazolin-4-one?
The IUPAC name of 3-(cyclopropylmethyl)-7-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]quinazolin-4-one (CID 126897882) is 3-(cyclopropylmethyl)-7-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]quinazolin-4-one.
What is the SMILES notation for 3-(cyclopropylmethyl)-7-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]quinazolin-4-one?
The canonical SMILES for 3-(cyclopropylmethyl)-7-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]quinazolin-4-one is O=c1[nH]ccnc1N1CCN(c2ccc3c(=O)n(CC4CC4)cnc3c2)CC1.
What is the InChIKey of 3-(cyclopropylmethyl)-7-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]quinazolin-4-one?
The InChIKey is ADVPJHJHOOMIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c27-19-18(21-5-6-22-19)25-9-7-24(8-10-25)15-3-4-16-17(11-15)23-13-26(20(16)28)12-14-1-2-14/h3-6,11,13-14H,1-2,7-10,12H2,(H,22,27).
What are the key properties of 3-(cyclopropylmethyl)-7-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]quinazolin-4-one?
3-(cyclopropylmethyl)-7-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]quinazolin-4-one has a molecular weight of 378.44 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-7-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]quinazolin-4-one is sourced from PubChem (CID 126897882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).