1,3-diphenacyl-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione

C24H24N2O4 — CID 73265092

IUPAC1,3-diphenacyl-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione
SMILESO=C(CN1C(=O)C2CCCCC2N(CC(=O)c2ccccc2)C1=O)c1ccccc1
InChIInChI=1S/C24H24N2O4/c27-21(17-9-3-1-4-10-17)15-25-20-14-8-7-13-19(20)23(29)26(24(25)30)16-22(28)18-11-5-2-6-12-18/h1-6,9-12,19-20H,7-8,13-16H2
InChIKeyFTQJCFSKHKTCJS-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.58
Rot. Bonds6

About 1,3-diphenacyl-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione

1,3-diphenacyl-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione (PubChem CID 73265092) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1,3-diphenacyl-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione.

Molecular Properties

Compound Name1,3-diphenacyl-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione
PubChem CID73265092
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name1,3-diphenacyl-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione
SMILESO=C(CN1C(=O)C2CCCCC2N(CC(=O)c2ccccc2)C1=O)c1ccccc1
InChIInChI=1S/C24H24N2O4/c27-21(17-9-3-1-4-10-17)15-25-20-14-8-7-13-19(20)23(29)26(24(25)30)16-22(28)18-11-5-2-6-12-18/h1-6,9-12,19-20H,7-8,13-16H2
InChIKeyFTQJCFSKHKTCJS-UHFFFAOYSA-N
XLogP3.58
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,3-diphenacyl-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione with MolForge

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Related Compounds

6-phenacyl-1,2,3,4,4a,6a,7,8,9,10,10a,12a-dodecahydrobenzimidazolo[2,1-b]quinazolin-12-one
CID 78271534
1-cyclohexyl-3-phenacylimidazolidine-2,4,5-trione
CID 34603406
1-phenacylpyrrolidine-2,5-dione
CID 717114
2-[2-(3-chlorophenyl)-2-oxoethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513676
(1S,6R)-7-benzyl-7-azabicyclo[4.2.0]octan-8-one
CID 14190975
2-[3-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]-N-phenylacetamide
CID 156589664
1-cyclopropyl-3-phenacylimidazolidine-2,4-dione
CID 87022456
6,6-dimethyl-3-phenacyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64688348
N-(2,6-dioxo-1-phenacylpiperidin-3-yl)propanamide
CID 144975524
2-(3-benzyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl)-N-(3-methoxyphenyl)acetamide
CID 156589849
6-butyl-3-phenacyl-1,3-diazabicyclo[3.1.0]hexane-2,4-dione
CID 11108912
phenyl 2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 8765517

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenacyl-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione?
The IUPAC name of 1,3-diphenacyl-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione (CID 73265092) is 1,3-diphenacyl-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione.
What is the SMILES notation for 1,3-diphenacyl-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione?
The canonical SMILES for 1,3-diphenacyl-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione is O=C(CN1C(=O)C2CCCCC2N(CC(=O)c2ccccc2)C1=O)c1ccccc1.
What is the InChIKey of 1,3-diphenacyl-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione?
The InChIKey is FTQJCFSKHKTCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c27-21(17-9-3-1-4-10-17)15-25-20-14-8-7-13-19(20)23(29)26(24(25)30)16-22(28)18-11-5-2-6-12-18/h1-6,9-12,19-20H,7-8,13-16H2.
What are the key properties of 1,3-diphenacyl-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione?
1,3-diphenacyl-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione has a molecular weight of 404.47 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenacyl-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione is sourced from PubChem (CID 73265092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).