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

C18H21ClN2O2 — CID 3907389

IUPAC4-(2-chlorophenyl)-1,3,7,7-tetramethyl-6,8-dihydro-4H-quinazoline-2,5-dione
SMILESCN1C(=O)N(C)C(c2ccccc2Cl)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C18H21ClN2O2/c1-18(2)9-13-15(14(22)10-18)16(21(4)17(23)20(13)3)11-7-5-6-8-12(11)19/h5-8,16H,9-10H2,1-4H3
InChIKeyYZZGJQGDHIDBOW-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.02
Rot. Bonds1

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

4-(2-chlorophenyl)-1,3,7,7-tetramethyl-6,8-dihydro-4H-quinazoline-2,5-dione (PubChem CID 3907389) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-1,3,7,7-tetramethyl-6,8-dihydro-4H-quinazoline-2,5-dione.

Molecular Properties

Compound Name4-(2-chlorophenyl)-1,3,7,7-tetramethyl-6,8-dihydro-4H-quinazoline-2,5-dione
PubChem CID3907389
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name4-(2-chlorophenyl)-1,3,7,7-tetramethyl-6,8-dihydro-4H-quinazoline-2,5-dione
SMILESCN1C(=O)N(C)C(c2ccccc2Cl)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C18H21ClN2O2/c1-18(2)9-13-15(14(22)10-18)16(21(4)17(23)20(13)3)11-7-5-6-8-12(11)19/h5-8,16H,9-10H2,1-4H3
InChIKeyYZZGJQGDHIDBOW-UHFFFAOYSA-N
XLogP4.02
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-1,3,7,7-tetramethyl-6,8-dihydro-4H-quinazoline-2,5-dione?
The IUPAC name of 4-(2-chlorophenyl)-1,3,7,7-tetramethyl-6,8-dihydro-4H-quinazoline-2,5-dione (CID 3907389) is 4-(2-chlorophenyl)-1,3,7,7-tetramethyl-6,8-dihydro-4H-quinazoline-2,5-dione.
What is the SMILES notation for 4-(2-chlorophenyl)-1,3,7,7-tetramethyl-6,8-dihydro-4H-quinazoline-2,5-dione?
The canonical SMILES for 4-(2-chlorophenyl)-1,3,7,7-tetramethyl-6,8-dihydro-4H-quinazoline-2,5-dione is CN1C(=O)N(C)C(c2ccccc2Cl)C2=C1CC(C)(C)CC2=O.
What is the InChIKey of 4-(2-chlorophenyl)-1,3,7,7-tetramethyl-6,8-dihydro-4H-quinazoline-2,5-dione?
The InChIKey is YZZGJQGDHIDBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-18(2)9-13-15(14(22)10-18)16(21(4)17(23)20(13)3)11-7-5-6-8-12(11)19/h5-8,16H,9-10H2,1-4H3.
What are the key properties of 4-(2-chlorophenyl)-1,3,7,7-tetramethyl-6,8-dihydro-4H-quinazoline-2,5-dione?
4-(2-chlorophenyl)-1,3,7,7-tetramethyl-6,8-dihydro-4H-quinazoline-2,5-dione has a molecular weight of 332.83 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-1,3,7,7-tetramethyl-6,8-dihydro-4H-quinazoline-2,5-dione is sourced from PubChem (CID 3907389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).