7,7-dimethyl-4-phenyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione

C16H18N2O2 — CID 3624687

IUPAC7,7-dimethyl-4-phenyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione
SMILESCC1(C)CC(=O)C2=C(C1)NC(=O)NC2c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-16(2)8-11-13(12(19)9-16)14(18-15(20)17-11)10-6-4-3-5-7-10/h3-7,14H,8-9H2,1-2H3,(H2,17,18,20)
InChIKeyLYALCTIYMWWLGG-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.68
Rot. Bonds1

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

7,7-dimethyl-4-phenyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione (PubChem CID 3624687) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 7,7-dimethyl-4-phenyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione.

Molecular Properties

Compound Name7,7-dimethyl-4-phenyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione
PubChem CID3624687
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name7,7-dimethyl-4-phenyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione
SMILESCC1(C)CC(=O)C2=C(C1)NC(=O)NC2c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-16(2)8-11-13(12(19)9-16)14(18-15(20)17-11)10-6-4-3-5-7-10/h3-7,14H,8-9H2,1-2H3,(H2,17,18,20)
InChIKeyLYALCTIYMWWLGG-UHFFFAOYSA-N
XLogP2.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-4-phenyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione?
The IUPAC name of 7,7-dimethyl-4-phenyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione (CID 3624687) is 7,7-dimethyl-4-phenyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione.
What is the SMILES notation for 7,7-dimethyl-4-phenyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione?
The canonical SMILES for 7,7-dimethyl-4-phenyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione is CC1(C)CC(=O)C2=C(C1)NC(=O)NC2c1ccccc1.
What is the InChIKey of 7,7-dimethyl-4-phenyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione?
The InChIKey is LYALCTIYMWWLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-16(2)8-11-13(12(19)9-16)14(18-15(20)17-11)10-6-4-3-5-7-10/h3-7,14H,8-9H2,1-2H3,(H2,17,18,20).
What are the key properties of 7,7-dimethyl-4-phenyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione?
7,7-dimethyl-4-phenyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione has a molecular weight of 270.33 g/mol, XLogP of 2.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-4-phenyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione is sourced from PubChem (CID 3624687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).