2-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl]-3-methylquinazolin-4-one

C24H26N4O3 — CID 9089194

IUPAC2-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl]-3-methylquinazolin-4-one
SMILESCC(=O)c1ccc(N2CCN(C(=O)CCc3nc4ccccc4c(=O)n3C)CC2)cc1
InChIInChI=1S/C24H26N4O3/c1-17(29)18-7-9-19(10-8-18)27-13-15-28(16-14-27)23(30)12-11-22-25-21-6-4-3-5-20(21)24(31)26(22)2/h3-10H,11-16H2,1-2H3
InChIKeyOSRFXQJIISVRDN-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.42
Rot. Bonds5

About 2-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl]-3-methylquinazolin-4-one

2-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl]-3-methylquinazolin-4-one (PubChem CID 9089194) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl]-3-methylquinazolin-4-one
PubChem CID9089194
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name2-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl]-3-methylquinazolin-4-one
SMILESCC(=O)c1ccc(N2CCN(C(=O)CCc3nc4ccccc4c(=O)n3C)CC2)cc1
InChIInChI=1S/C24H26N4O3/c1-17(29)18-7-9-19(10-8-18)27-13-15-28(16-14-27)23(30)12-11-22-25-21-6-4-3-5-20(21)24(31)26(22)2/h3-10H,11-16H2,1-2H3
InChIKeyOSRFXQJIISVRDN-UHFFFAOYSA-N
XLogP2.42
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one
CID 135739653
2-ethyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 45030837
1-[4-(4-acetylphenyl)piperazin-1-yl]-4-aminobutan-1-one
CID 61252118
3-[6-oxo-6-(4-phenylpiperazin-1-yl)hexyl]quinazolin-4-one
CID 4904361
1-[4-(4-acetylphenyl)piperazin-1-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 9089198
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenoxyethanone
CID 8866833
1-[4-[4-(isoquinoline-1-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 6733703
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-bromoethanone
CID 63681378
1-[4-(4-nitrophenyl)piperazin-1-yl]-3-(1-phenylbenzimidazol-2-yl)propan-1-one
CID 3904421
1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
CID 60636215
12-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl]-8-propyl-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-7-one
CID 50761713
4-[4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]piperazin-1-yl]benzonitrile
CID 178142640

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl]-3-methylquinazolin-4-one?
The IUPAC name of 2-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl]-3-methylquinazolin-4-one (CID 9089194) is 2-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl]-3-methylquinazolin-4-one.
What is the SMILES notation for 2-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl]-3-methylquinazolin-4-one?
The canonical SMILES for 2-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl]-3-methylquinazolin-4-one is CC(=O)c1ccc(N2CCN(C(=O)CCc3nc4ccccc4c(=O)n3C)CC2)cc1.
What is the InChIKey of 2-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl]-3-methylquinazolin-4-one?
The InChIKey is OSRFXQJIISVRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-17(29)18-7-9-19(10-8-18)27-13-15-28(16-14-27)23(30)12-11-22-25-21-6-4-3-5-20(21)24(31)26(22)2/h3-10H,11-16H2,1-2H3.
What are the key properties of 2-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl]-3-methylquinazolin-4-one?
2-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl]-3-methylquinazolin-4-one has a molecular weight of 418.50 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl]-3-methylquinazolin-4-one is sourced from PubChem (CID 9089194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).