2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-3H-quinazolin-4-one

C19H20N6O2 — CID 135885511

IUPAC2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-3H-quinazolin-4-one
SMILESCc1cnc(C)c(N2CCN(C(=O)c3nc4ccccc4c(=O)[nH]3)CC2)n1
InChIInChI=1S/C19H20N6O2/c1-12-11-20-13(2)17(21-12)24-7-9-25(10-8-24)19(27)16-22-15-6-4-3-5-14(15)18(26)23-16/h3-6,11H,7-10H2,1-2H3,(H,22,23,26)
InChIKeyCODACLAZTNHFRN-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.29
Rot. Bonds2

About 2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-3H-quinazolin-4-one

2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-3H-quinazolin-4-one (PubChem CID 135885511) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-3H-quinazolin-4-one
PubChem CID135885511
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-3H-quinazolin-4-one
SMILESCc1cnc(C)c(N2CCN(C(=O)c3nc4ccccc4c(=O)[nH]3)CC2)n1
InChIInChI=1S/C19H20N6O2/c1-12-11-20-13(2)17(21-12)24-7-9-25(10-8-24)19(27)16-22-15-6-4-3-5-14(15)18(26)23-16/h3-6,11H,7-10H2,1-2H3,(H,22,23,26)
InChIKeyCODACLAZTNHFRN-UHFFFAOYSA-N
XLogP1.29
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-pyridin-2-ylpiperazine-1-carbonyl)-3H-quinazolin-4-one
CID 135877794
2-(4-acetylpiperazine-1-carbonyl)-3H-quinazolin-4-one
CID 135966308
2-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-3H-quinazolin-4-one
CID 135895971
2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3H-quinazolin-4-one
CID 135908349
5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one
CID 156585711
2-(4-phenylpiperazine-1-carbonyl)-3H-quinazolin-4-one;2,2,2-trifluoroacetic acid
CID 154890246
2-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-3H-quinazolin-4-one;2,2,2-trifluoroacetic acid
CID 154888668
(9aS)-8-methyl-2-(4-oxo-3H-quinazoline-2-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 136697837
2-[(3R,4R)-3,4-dihydroxy-4-methylpiperidine-1-carbonyl]-3H-quinazolin-4-one
CID 137248565
2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-3H-quinazolin-4-one
CID 136911292
2-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-8-carbonyl)-3H-quinazolin-4-one
CID 136930387
2-cyclopentyl-N-[[1-(4-oxo-3H-quinazoline-2-carbonyl)piperidin-4-yl]methyl]acetamide
CID 137200046

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-3H-quinazolin-4-one (CID 135885511) is 2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-3H-quinazolin-4-one is Cc1cnc(C)c(N2CCN(C(=O)c3nc4ccccc4c(=O)[nH]3)CC2)n1.
What is the InChIKey of 2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-3H-quinazolin-4-one?
The InChIKey is CODACLAZTNHFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-12-11-20-13(2)17(21-12)24-7-9-25(10-8-24)19(27)16-22-15-6-4-3-5-14(15)18(26)23-16/h3-6,11H,7-10H2,1-2H3,(H,22,23,26).
What are the key properties of 2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-3H-quinazolin-4-one?
2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-3H-quinazolin-4-one has a molecular weight of 364.41 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135885511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).