1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-4-phenylquinazolin-2-one

C28H28N4O2 — CID 46346733

IUPAC1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-4-phenylquinazolin-2-one
SMILESCc1cccc(N2CCN(C(=O)Cn3c(=O)nc(-c4ccccc4)c4ccccc43)CC2)c1C
InChIInChI=1S/C28H28N4O2/c1-20-9-8-14-24(21(20)2)30-15-17-31(18-16-30)26(33)19-32-25-13-7-6-12-23(25)27(29-28(32)34)22-10-4-3-5-11-22/h3-14H,15-19H2,1-2H3
InChIKeyFWMAIBDGQDLKLV-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.03
Rot. Bonds4

About 1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-4-phenylquinazolin-2-one

1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-4-phenylquinazolin-2-one (PubChem CID 46346733) has the molecular formula C28H28N4O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is 1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-4-phenylquinazolin-2-one.

Molecular Properties

Compound Name1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-4-phenylquinazolin-2-one
PubChem CID46346733
Molecular FormulaC28H28N4O2
Molecular Weight452.56 g/mol
Exact Mass452.22
IUPAC Name1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-4-phenylquinazolin-2-one
SMILESCc1cccc(N2CCN(C(=O)Cn3c(=O)nc(-c4ccccc4)c4ccccc43)CC2)c1C
InChIInChI=1S/C28H28N4O2/c1-20-9-8-14-24(21(20)2)30-15-17-31(18-16-30)26(33)19-32-25-13-7-6-12-23(25)27(29-28(32)34)22-10-4-3-5-11-22/h3-14H,15-19H2,1-2H3
InChIKeyFWMAIBDGQDLKLV-UHFFFAOYSA-N
XLogP4.03
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-phenylquinazolin-2-one
CID 46346805
3-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-1-ethylquinoxalin-2-one
CID 46395214
3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 4910274
4-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1-ethylquinolin-2-one
CID 20864385
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-pyrrol-1-ylethanone
CID 5308589
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]butane-1,3-dione
CID 18073226
3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 27873849
8-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one
CID 22553372
2-(4-acetylpiperazin-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 108996074
3-(benzimidazol-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
CID 40708470
N-[(3,4-dimethylphenyl)methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 46346770
1-(4-acetylpiperazin-1-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propane-1,3-dione
CID 108944891

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-4-phenylquinazolin-2-one?
The IUPAC name of 1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-4-phenylquinazolin-2-one (CID 46346733) is 1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-4-phenylquinazolin-2-one.
What is the SMILES notation for 1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-4-phenylquinazolin-2-one?
The canonical SMILES for 1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-4-phenylquinazolin-2-one is Cc1cccc(N2CCN(C(=O)Cn3c(=O)nc(-c4ccccc4)c4ccccc43)CC2)c1C.
What is the InChIKey of 1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-4-phenylquinazolin-2-one?
The InChIKey is FWMAIBDGQDLKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2/c1-20-9-8-14-24(21(20)2)30-15-17-31(18-16-30)26(33)19-32-25-13-7-6-12-23(25)27(29-28(32)34)22-10-4-3-5-11-22/h3-14H,15-19H2,1-2H3.
What are the key properties of 1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-4-phenylquinazolin-2-one?
1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-4-phenylquinazolin-2-one has a molecular weight of 452.56 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-4-phenylquinazolin-2-one is sourced from PubChem (CID 46346733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).