4-(2-chlorophenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione

C17H19ClN2O2 — CID 4017936

IUPAC4-(2-chlorophenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione
SMILESCN1C(=O)NC(c2ccccc2Cl)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C17H19ClN2O2/c1-17(2)8-12-14(13(21)9-17)15(19-16(22)20(12)3)10-6-4-5-7-11(10)18/h4-7,15H,8-9H2,1-3H3,(H,19,22)
InChIKeyYAZBUQOJORLGJW-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.68
Rot. Bonds1

About 4-(2-chlorophenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione

4-(2-chlorophenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione (PubChem CID 4017936) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione.

Molecular Properties

Compound Name4-(2-chlorophenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione
PubChem CID4017936
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name4-(2-chlorophenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione
SMILESCN1C(=O)NC(c2ccccc2Cl)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C17H19ClN2O2/c1-17(2)8-12-14(13(21)9-17)15(19-16(22)20(12)3)10-6-4-5-7-11(10)18/h4-7,15H,8-9H2,1-3H3,(H,19,22)
InChIKeyYAZBUQOJORLGJW-UHFFFAOYSA-N
XLogP3.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione?
The IUPAC name of 4-(2-chlorophenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione (CID 4017936) is 4-(2-chlorophenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione.
What is the SMILES notation for 4-(2-chlorophenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione?
The canonical SMILES for 4-(2-chlorophenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione is CN1C(=O)NC(c2ccccc2Cl)C2=C1CC(C)(C)CC2=O.
What is the InChIKey of 4-(2-chlorophenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione?
The InChIKey is YAZBUQOJORLGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-17(2)8-12-14(13(21)9-17)15(19-16(22)20(12)3)10-6-4-5-7-11(10)18/h4-7,15H,8-9H2,1-3H3,(H,19,22).
What are the key properties of 4-(2-chlorophenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione?
4-(2-chlorophenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione has a molecular weight of 318.80 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione is sourced from PubChem (CID 4017936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).