1-[(4-methoxyphenyl)methyl]-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-2-one

C23H19F3N2O2 — CID 69232807

IUPAC1-[(4-methoxyphenyl)methyl]-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-2-one
SMILESCOc1ccc(CN2C(=O)NCc3cc(-c4ccc(C(F)(F)F)cc4)ccc32)cc1
InChIInChI=1S/C23H19F3N2O2/c1-30-20-9-2-15(3-10-20)14-28-21-11-6-17(12-18(21)13-27-22(28)29)16-4-7-19(8-5-16)23(24,25)26/h2-12H,13-14H2,1H3,(H,27,29)
InChIKeyWVTPNYDGBDLZAG-UHFFFAOYSA-N
MW412.41 g/mol
LogP5.61
Rot. Bonds4

About 1-[(4-methoxyphenyl)methyl]-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-2-one

1-[(4-methoxyphenyl)methyl]-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-2-one (PubChem CID 69232807) has the molecular formula C23H19F3N2O2 and a molecular weight of 412.41 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-2-one
PubChem CID69232807
Molecular FormulaC23H19F3N2O2
Molecular Weight412.41 g/mol
Exact Mass412.14
IUPAC Name1-[(4-methoxyphenyl)methyl]-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-2-one
SMILESCOc1ccc(CN2C(=O)NCc3cc(-c4ccc(C(F)(F)F)cc4)ccc32)cc1
InChIInChI=1S/C23H19F3N2O2/c1-30-20-9-2-15(3-10-20)14-28-21-11-6-17(12-18(21)13-27-22(28)29)16-4-7-19(8-5-16)23(24,25)26/h2-12H,13-14H2,1H3,(H,27,29)
InChIKeyWVTPNYDGBDLZAG-UHFFFAOYSA-N
XLogP5.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.41
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(4-methoxyphenyl)methyl]-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-2-one?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-2-one (CID 69232807) is 1-[(4-methoxyphenyl)methyl]-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-2-one.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-2-one?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-2-one is COc1ccc(CN2C(=O)NCc3cc(-c4ccc(C(F)(F)F)cc4)ccc32)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-2-one?
The InChIKey is WVTPNYDGBDLZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O2/c1-30-20-9-2-15(3-10-20)14-28-21-11-6-17(12-18(21)13-27-22(28)29)16-4-7-19(8-5-16)23(24,25)26/h2-12H,13-14H2,1H3,(H,27,29).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-2-one?
1-[(4-methoxyphenyl)methyl]-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-2-one has a molecular weight of 412.41 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-2-one is sourced from PubChem (CID 69232807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).