3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one

C19H22N4O3 — CID 96543678

IUPAC3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1CC(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C19H22N4O3/c1-13-20-16-5-3-2-4-15(16)19(26)23(13)12-17(24)21-8-10-22(11-9-21)18(25)14-6-7-14/h2-5,14H,6-12H2,1H3
InChIKeyCGUJNLJYZUFVMA-UHFFFAOYSA-N
MW354.41 g/mol
LogP0.79
Rot. Bonds3

About 3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one

3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one (PubChem CID 96543678) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one
PubChem CID96543678
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1CC(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C19H22N4O3/c1-13-20-16-5-3-2-4-15(16)19(26)23(13)12-17(24)21-8-10-22(11-9-21)18(25)14-6-7-14/h2-5,14H,6-12H2,1H3
InChIKeyCGUJNLJYZUFVMA-UHFFFAOYSA-N
XLogP0.79
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[(3S)-3-(azepane-1-carbonyl)piperidin-1-yl]-3-oxopropyl]-2-methylquinazolin-4-one
CID 92565221
3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one
CID 51046856
3-[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one
CID 55619945
2-(2-methyl-4-oxoquinazolin-3-yl)acetate
CID 6971388
3-[2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one
CID 17470334
2-methyl-3-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 55399983
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanone
CID 17474003
(3S)-1-[4-(2-methyl-4-oxoquinazolin-3-yl)butanoyl]pyrrolidine-3-carboxamide
CID 94512727
3-[4-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-4-oxobutyl]-2-methylquinazolin-4-one
CID 95269637
3-[2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one
CID 128982647
3-benzyl-2-[1-[4-(cyclohexanecarbonyl)piperazin-1-yl]propyl]quinazolin-4-one
CID 42714908
2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]acetamide
CID 52521562

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one?
The IUPAC name of 3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one (CID 96543678) is 3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one is Cc1nc2ccccc2c(=O)n1CC(=O)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one?
The InChIKey is CGUJNLJYZUFVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-13-20-16-5-3-2-4-15(16)19(26)23(13)12-17(24)21-8-10-22(11-9-21)18(25)14-6-7-14/h2-5,14H,6-12H2,1H3.
What are the key properties of 3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one?
3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one has a molecular weight of 354.41 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one is sourced from PubChem (CID 96543678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).