2-methyl-3-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenyl]quinazolin-4-one

C24H22N6O2 — CID 32646472

IUPAC2-methyl-3-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenyl]quinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCN(c3cnccn3)CC2)cc1
InChIInChI=1S/C24H22N6O2/c1-17-27-21-5-3-2-4-20(21)24(32)30(17)19-8-6-18(7-9-19)23(31)29-14-12-28(13-15-29)22-16-25-10-11-26-22/h2-11,16H,12-15H2,1H3
InChIKeyUQCBUFJUPWTTAU-UHFFFAOYSA-N
MW426.48 g/mol
LogP2.45
Rot. Bonds3

About 2-methyl-3-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenyl]quinazolin-4-one

2-methyl-3-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenyl]quinazolin-4-one (PubChem CID 32646472) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is 2-methyl-3-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenyl]quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-3-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenyl]quinazolin-4-one
PubChem CID32646472
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC Name2-methyl-3-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenyl]quinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCN(c3cnccn3)CC2)cc1
InChIInChI=1S/C24H22N6O2/c1-17-27-21-5-3-2-4-20(21)24(32)30(17)19-8-6-18(7-9-19)23(31)29-14-12-28(13-15-29)22-16-25-10-11-26-22/h2-11,16H,12-15H2,1H3
InChIKeyUQCBUFJUPWTTAU-UHFFFAOYSA-N
XLogP2.45
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-3-[4-(piperidine-1-carbonyl)phenyl]quinazolin-4-one
CID 17471641
3-[4-(4-hydroxy-4-methylpiperidine-1-carbonyl)phenyl]-2-methylquinazolin-4-one
CID 126783335
3-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2-methylquinazolin-4-one
CID 126769930
3-[4-[4-(methoxymethyl)piperidine-1-carbonyl]phenyl]-2-methylquinazolin-4-one
CID 126787810
3-[4-[(3S)-3-ethylpiperidine-1-carbonyl]phenyl]-2-methylquinazolin-4-one
CID 38906313
[4-[(R)-methylsulfinyl]phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 33113092
(1-phenylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42024013
(3,5-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023194
3-(4-methylphenyl)-7-(4-pyridin-2-ylpiperazine-1-carbonyl)-2-pyrrolidin-1-ylquinazolin-4-one
CID 50761153
2-propan-2-yl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phthalazin-1-one
CID 138999284
(4-hydroxyphenyl)-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 84588350
[4-(6-methylpyridazin-3-yl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 119066291

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenyl]quinazolin-4-one?
The IUPAC name of 2-methyl-3-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenyl]quinazolin-4-one (CID 32646472) is 2-methyl-3-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenyl]quinazolin-4-one.
What is the SMILES notation for 2-methyl-3-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenyl]quinazolin-4-one?
The canonical SMILES for 2-methyl-3-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenyl]quinazolin-4-one is Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCN(c3cnccn3)CC2)cc1.
What is the InChIKey of 2-methyl-3-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenyl]quinazolin-4-one?
The InChIKey is UQCBUFJUPWTTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2/c1-17-27-21-5-3-2-4-20(21)24(32)30(17)19-8-6-18(7-9-19)23(31)29-14-12-28(13-15-29)22-16-25-10-11-26-22/h2-11,16H,12-15H2,1H3.
What are the key properties of 2-methyl-3-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenyl]quinazolin-4-one?
2-methyl-3-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenyl]quinazolin-4-one has a molecular weight of 426.48 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenyl]quinazolin-4-one is sourced from PubChem (CID 32646472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).