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

C14H14N2O2 — CID 4566093

IUPAC4-phenyl-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
SMILESO=C1NC2=C(C(=O)CCC2)C(c2ccccc2)N1
InChIInChI=1S/C14H14N2O2/c17-11-8-4-7-10-12(11)13(16-14(18)15-10)9-5-2-1-3-6-9/h1-3,5-6,13H,4,7-8H2,(H2,15,16,18)
InChIKeyCWJIPAGNXXXBNP-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.05
Rot. Bonds1

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

4-phenyl-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione (PubChem CID 4566093) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-phenyl-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione.

Molecular Properties

Compound Name4-phenyl-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
PubChem CID4566093
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name4-phenyl-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
SMILESO=C1NC2=C(C(=O)CCC2)C(c2ccccc2)N1
InChIInChI=1S/C14H14N2O2/c17-11-8-4-7-10-12(11)13(16-14(18)15-10)9-5-2-1-3-6-9/h1-3,5-6,13H,4,7-8H2,(H2,15,16,18)
InChIKeyCWJIPAGNXXXBNP-UHFFFAOYSA-N
XLogP2.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-Methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)ethanone
CID 2830908
5-acetyl-4,6-diphenyl-3,4-dihydro-2(1H)-pyrimidinone
CID 2987521
5-Acetyl-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 592640
4-(2-chlorophenyl)-1,7,7-trimethyl-4,6,7,8-tetrahydro-2,5(1H,3H)-quinazolinedione
CID 4017936
4-(4-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione
CID 4123100
7,7-dimethyl-4-(2-methylphenyl)-2-sulfanylidene-3,4,6,8-tetrahydro-1H-quinazolin-5-one
CID 4149141
4-(4-Methylphenyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one
CID 4180738
4-(2-Fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 2912658
2,5(1H,3H)-Quinazolinedione, 4-(2-chlorophenyl)-4,6,7,8-tetrahydro-
CID 2918494
(4S)-5-Acetyl-1-ethyl-3,4-dihydro-3,6-dimethyl-4-phenyl-2(1H)-pyrimidinone
CID 16759665
1,7,7-trimethyl-4-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinazoline-2,5(1H,3H)-dione
CID 4157867
4-(4-isopropylphenyl)-2-thioxo-2,3,4,6,7,8-hexahydroquinazolin-5(1H)-one
CID 4255999

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
The IUPAC name of 4-phenyl-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione (CID 4566093) is 4-phenyl-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione.
What is the SMILES notation for 4-phenyl-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
The canonical SMILES for 4-phenyl-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione is O=C1NC2=C(C(=O)CCC2)C(c2ccccc2)N1.
What is the InChIKey of 4-phenyl-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
The InChIKey is CWJIPAGNXXXBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-11-8-4-7-10-12(11)13(16-14(18)15-10)9-5-2-1-3-6-9/h1-3,5-6,13H,4,7-8H2,(H2,15,16,18).
What are the key properties of 4-phenyl-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
4-phenyl-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione has a molecular weight of 242.28 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione is sourced from PubChem (CID 4566093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).