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

C16H17ClN2O2 — CID 3897146

IUPAC4-(2-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione
SMILESCC1(C)CC(=O)C2=C(C1)NC(=O)NC2c1ccccc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-16(2)7-11-13(12(20)8-16)14(19-15(21)18-11)9-5-3-4-6-10(9)17/h3-6,14H,7-8H2,1-2H3,(H2,18,19,21)
InChIKeyOAVQYTZJLFPLFA-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.34
Rot. Bonds1

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

4-(2-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione (PubChem CID 3897146) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione.

Molecular Properties

Compound Name4-(2-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione
PubChem CID3897146
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name4-(2-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione
SMILESCC1(C)CC(=O)C2=C(C1)NC(=O)NC2c1ccccc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-16(2)7-11-13(12(20)8-16)14(19-15(21)18-11)9-5-3-4-6-10(9)17/h3-6,14H,7-8H2,1-2H3,(H2,18,19,21)
InChIKeyOAVQYTZJLFPLFA-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

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

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Related Compounds

1,2,3,4,5,6,7,8-Octahydro-4-phenylquinazoline-2,5-dione
CID 4566093
4-(2-chlorophenyl)-1,3,7,7-tetramethyl-6,8-dihydro-4H-quinazoline-2,5-dione
CID 3907389
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
2,5(1H,3H)-Quinazolinedione, 4-(2-chlorophenyl)-4,6,7,8-tetrahydro-
CID 2918494
4-(3-chlorophenyl)-N,N,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2998268
1,7,7-trimethyl-4-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinazoline-2,5(1H,3H)-dione
CID 4157867
4-(3-fluorophenyl)-1,7,7-trimethyl-4,6,7,8-tetrahydroquinazoline-2,5(1H,3H)-dione
CID 4114493
4-(4-chlorophenyl)-1,7,7-trimethyl-4,6,7,8-tetrahydroquinazoline-2,5(1H,3H)-dione
CID 4228739
4-(4-chlorophenyl)-1-ethyl-4,6,7,8-tetrahydroquinazoline-2,5(1H,3H)-dione
CID 4537231
ST51005416
CID 2729421
4-(2-chloro-6-fluorophenyl)-N,N-diethyl-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide
CID 2938693

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione?
The IUPAC name of 4-(2-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione (CID 3897146) is 4-(2-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione.
What is the SMILES notation for 4-(2-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione?
The canonical SMILES for 4-(2-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione is CC1(C)CC(=O)C2=C(C1)NC(=O)NC2c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione?
The InChIKey is OAVQYTZJLFPLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-16(2)7-11-13(12(20)8-16)14(19-15(21)18-11)9-5-3-4-6-10(9)17/h3-6,14H,7-8H2,1-2H3,(H2,18,19,21).
What are the key properties of 4-(2-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione?
4-(2-chlorophenyl)-7,7-dimethyl-3,4,6,8-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-(2-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione is sourced from PubChem (CID 3897146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).