4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione

C15H16N2O2 — CID 4674621

IUPAC4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
SMILESCc1ccccc1C1NC(=O)NC2=C1C(=O)CCC2
InChIInChI=1S/C15H16N2O2/c1-9-5-2-3-6-10(9)14-13-11(16-15(19)17-14)7-4-8-12(13)18/h2-3,5-6,14H,4,7-8H2,1H3,(H2,16,17,19)
InChIKeyWUVJZIGJCHMSAD-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.36
Rot. Bonds1

About 4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione

4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione (PubChem CID 4674621) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione.

Molecular Properties

Compound Name4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
PubChem CID4674621
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
SMILESCc1ccccc1C1NC(=O)NC2=C1C(=O)CCC2
InChIInChI=1S/C15H16N2O2/c1-9-5-2-3-6-10(9)14-13-11(16-15(19)17-14)7-4-8-12(13)18/h2-3,5-6,14H,4,7-8H2,1H3,(H2,16,17,19)
InChIKeyWUVJZIGJCHMSAD-UHFFFAOYSA-N
XLogP2.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
The IUPAC name of 4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione (CID 4674621) is 4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione.
What is the SMILES notation for 4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
The canonical SMILES for 4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione is Cc1ccccc1C1NC(=O)NC2=C1C(=O)CCC2.
What is the InChIKey of 4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
The InChIKey is WUVJZIGJCHMSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-9-5-2-3-6-10(9)14-13-11(16-15(19)17-14)7-4-8-12(13)18/h2-3,5-6,14H,4,7-8H2,1H3,(H2,16,17,19).
What are the key properties of 4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione has a molecular weight of 256.30 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione is sourced from PubChem (CID 4674621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).