4-(4-chlorophenyl)-6,6-dimethyl-3,4,7,8-tetrahydro-1H-quinazoline-2,5-dione

C16H17ClN2O2 — CID 10566463

IUPAC4-(4-chlorophenyl)-6,6-dimethyl-3,4,7,8-tetrahydro-1H-quinazoline-2,5-dione
SMILESCC1(C)CCC2=C(C1=O)C(c1ccc(Cl)cc1)NC(=O)N2
InChIInChI=1S/C16H17ClN2O2/c1-16(2)8-7-11-12(14(16)20)13(19-15(21)18-11)9-3-5-10(17)6-4-9/h3-6,13H,7-8H2,1-2H3,(H2,18,19,21)
InChIKeyFVELUNONYKOWOE-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.34
Rot. Bonds1

About 4-(4-chlorophenyl)-6,6-dimethyl-3,4,7,8-tetrahydro-1H-quinazoline-2,5-dione

4-(4-chlorophenyl)-6,6-dimethyl-3,4,7,8-tetrahydro-1H-quinazoline-2,5-dione (PubChem CID 10566463) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-6,6-dimethyl-3,4,7,8-tetrahydro-1H-quinazoline-2,5-dione.

Molecular Properties

Compound Name4-(4-chlorophenyl)-6,6-dimethyl-3,4,7,8-tetrahydro-1H-quinazoline-2,5-dione
PubChem CID10566463
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name4-(4-chlorophenyl)-6,6-dimethyl-3,4,7,8-tetrahydro-1H-quinazoline-2,5-dione
SMILESCC1(C)CCC2=C(C1=O)C(c1ccc(Cl)cc1)NC(=O)N2
InChIInChI=1S/C16H17ClN2O2/c1-16(2)8-7-11-12(14(16)20)13(19-15(21)18-11)9-3-5-10(17)6-4-9/h3-6,13H,7-8H2,1-2H3,(H2,18,19,21)
InChIKeyFVELUNONYKOWOE-UHFFFAOYSA-N
XLogP3.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-6,6-dimethyl-3,4,7,8-tetrahydro-1H-quinazoline-2,5-dione?
The IUPAC name of 4-(4-chlorophenyl)-6,6-dimethyl-3,4,7,8-tetrahydro-1H-quinazoline-2,5-dione (CID 10566463) is 4-(4-chlorophenyl)-6,6-dimethyl-3,4,7,8-tetrahydro-1H-quinazoline-2,5-dione.
What is the SMILES notation for 4-(4-chlorophenyl)-6,6-dimethyl-3,4,7,8-tetrahydro-1H-quinazoline-2,5-dione?
The canonical SMILES for 4-(4-chlorophenyl)-6,6-dimethyl-3,4,7,8-tetrahydro-1H-quinazoline-2,5-dione is CC1(C)CCC2=C(C1=O)C(c1ccc(Cl)cc1)NC(=O)N2.
What is the InChIKey of 4-(4-chlorophenyl)-6,6-dimethyl-3,4,7,8-tetrahydro-1H-quinazoline-2,5-dione?
The InChIKey is FVELUNONYKOWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-16(2)8-7-11-12(14(16)20)13(19-15(21)18-11)9-3-5-10(17)6-4-9/h3-6,13H,7-8H2,1-2H3,(H2,18,19,21).
What are the key properties of 4-(4-chlorophenyl)-6,6-dimethyl-3,4,7,8-tetrahydro-1H-quinazoline-2,5-dione?
4-(4-chlorophenyl)-6,6-dimethyl-3,4,7,8-tetrahydro-1H-quinazoline-2,5-dione has a molecular weight of 304.78 g/mol, XLogP of 3.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-6,6-dimethyl-3,4,7,8-tetrahydro-1H-quinazoline-2,5-dione is sourced from PubChem (CID 10566463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).