4-[4-(difluoromethoxy)phenyl]-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione

C15H14F2N2O3 — CID 5021241

IUPAC4-[4-(difluoromethoxy)phenyl]-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
SMILESO=C1NC2=C(C(=O)CCC2)C(c2ccc(OC(F)F)cc2)N1
InChIInChI=1S/C15H14F2N2O3/c16-14(17)22-9-6-4-8(5-7-9)13-12-10(18-15(21)19-13)2-1-3-11(12)20/h4-7,13-14H,1-3H2,(H2,18,19,21)
InChIKeySDWXJVAZKRQTAY-UHFFFAOYSA-N
MW308.28 g/mol
LogP2.65
Rot. Bonds3

About 4-[4-(difluoromethoxy)phenyl]-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione

4-[4-(difluoromethoxy)phenyl]-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione (PubChem CID 5021241) has the molecular formula C15H14F2N2O3 and a molecular weight of 308.28 g/mol. Its IUPAC name is 4-[4-(difluoromethoxy)phenyl]-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione.

Molecular Properties

Compound Name4-[4-(difluoromethoxy)phenyl]-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
PubChem CID5021241
Molecular FormulaC15H14F2N2O3
Molecular Weight308.28 g/mol
Exact Mass308.10
IUPAC Name4-[4-(difluoromethoxy)phenyl]-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
SMILESO=C1NC2=C(C(=O)CCC2)C(c2ccc(OC(F)F)cc2)N1
InChIInChI=1S/C15H14F2N2O3/c16-14(17)22-9-6-4-8(5-7-9)13-12-10(18-15(21)19-13)2-1-3-11(12)20/h4-7,13-14H,1-3H2,(H2,18,19,21)
InChIKeySDWXJVAZKRQTAY-UHFFFAOYSA-N
XLogP2.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethoxy)phenyl]-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
The IUPAC name of 4-[4-(difluoromethoxy)phenyl]-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione (CID 5021241) is 4-[4-(difluoromethoxy)phenyl]-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione.
What is the SMILES notation for 4-[4-(difluoromethoxy)phenyl]-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
The canonical SMILES for 4-[4-(difluoromethoxy)phenyl]-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione is O=C1NC2=C(C(=O)CCC2)C(c2ccc(OC(F)F)cc2)N1.
What is the InChIKey of 4-[4-(difluoromethoxy)phenyl]-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
The InChIKey is SDWXJVAZKRQTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O3/c16-14(17)22-9-6-4-8(5-7-9)13-12-10(18-15(21)19-13)2-1-3-11(12)20/h4-7,13-14H,1-3H2,(H2,18,19,21).
What are the key properties of 4-[4-(difluoromethoxy)phenyl]-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
4-[4-(difluoromethoxy)phenyl]-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione has a molecular weight of 308.28 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethoxy)phenyl]-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione is sourced from PubChem (CID 5021241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).