2-methyl-2-[2-(3-phenylpropoxy)phenyl]-1,3-dihydroquinazolin-4-one

C24H24N2O2 — CID 54780757

IUPAC2-methyl-2-[2-(3-phenylpropoxy)phenyl]-1,3-dihydroquinazolin-4-one
SMILESCC1(c2ccccc2OCCCc2ccccc2)NC(=O)c2ccccc2N1
InChIInChI=1S/C24H24N2O2/c1-24(25-21-15-7-5-13-19(21)23(27)26-24)20-14-6-8-16-22(20)28-17-9-12-18-10-3-2-4-11-18/h2-8,10-11,13-16,25H,9,12,17H2,1H3,(H,26,27)
InChIKeyNWUBOQAKPIVFEE-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.73
Rot. Bonds6

About 2-methyl-2-[2-(3-phenylpropoxy)phenyl]-1,3-dihydroquinazolin-4-one

2-methyl-2-[2-(3-phenylpropoxy)phenyl]-1,3-dihydroquinazolin-4-one (PubChem CID 54780757) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-methyl-2-[2-(3-phenylpropoxy)phenyl]-1,3-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-methyl-2-[2-(3-phenylpropoxy)phenyl]-1,3-dihydroquinazolin-4-one
PubChem CID54780757
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name2-methyl-2-[2-(3-phenylpropoxy)phenyl]-1,3-dihydroquinazolin-4-one
SMILESCC1(c2ccccc2OCCCc2ccccc2)NC(=O)c2ccccc2N1
InChIInChI=1S/C24H24N2O2/c1-24(25-21-15-7-5-13-19(21)23(27)26-24)20-14-6-8-16-22(20)28-17-9-12-18-10-3-2-4-11-18/h2-8,10-11,13-16,25H,9,12,17H2,1H3,(H,26,27)
InChIKeyNWUBOQAKPIVFEE-UHFFFAOYSA-N
XLogP4.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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

Launch Full Analysis

Related Compounds

2-methyl-2-(2-propoxyphenyl)-1,3-dihydroquinazolin-4-one
CID 54779481
2-(2-fluorophenyl)-2-methyl-1,3-dihydroquinazolin-4-one
CID 42883579
2-methyl-2-[2-(2-phenylethoxy)phenyl]-3-prop-2-enyl-1H-quinazolin-4-one
CID 54780843
3-benzyl-2-methyl-2-(2-pentoxyphenyl)-1H-quinazolin-4-one
CID 54779290
2-(4-hexoxyphenyl)-2-methyl-1,3-dihydroquinazolin-4-one
CID 54779345
2-methyl-2-[2-(2-methylpropoxy)phenyl]-3-(2-phenylethyl)-1H-quinazolin-4-one
CID 54779009
2-methyl-2-(3-pentoxyphenyl)-1,3-dihydroquinazolin-4-one
CID 54779593
3-benzyl-2-methyl-2-[4-(3-phenylpropoxy)phenyl]-1H-quinazolin-4-one
CID 54780494
2-(2-hexoxyphenyl)-2-methyl-3-propyl-1H-quinazolin-4-one
CID 54777791
2,2-dimethyl-1,3-dihydroquinazolin-4-one
CID 595161
2,3-dimethyl-2-[2-(3-methylbutoxy)phenyl]-1H-quinazolin-4-one
CID 54778385
3-(3-methoxypropyl)-2-methyl-2-(2-propoxyphenyl)-1H-quinazolin-4-one
CID 54778619

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(3-phenylpropoxy)phenyl]-1,3-dihydroquinazolin-4-one?
The IUPAC name of 2-methyl-2-[2-(3-phenylpropoxy)phenyl]-1,3-dihydroquinazolin-4-one (CID 54780757) is 2-methyl-2-[2-(3-phenylpropoxy)phenyl]-1,3-dihydroquinazolin-4-one.
What is the SMILES notation for 2-methyl-2-[2-(3-phenylpropoxy)phenyl]-1,3-dihydroquinazolin-4-one?
The canonical SMILES for 2-methyl-2-[2-(3-phenylpropoxy)phenyl]-1,3-dihydroquinazolin-4-one is CC1(c2ccccc2OCCCc2ccccc2)NC(=O)c2ccccc2N1.
What is the InChIKey of 2-methyl-2-[2-(3-phenylpropoxy)phenyl]-1,3-dihydroquinazolin-4-one?
The InChIKey is NWUBOQAKPIVFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-24(25-21-15-7-5-13-19(21)23(27)26-24)20-14-6-8-16-22(20)28-17-9-12-18-10-3-2-4-11-18/h2-8,10-11,13-16,25H,9,12,17H2,1H3,(H,26,27).
What are the key properties of 2-methyl-2-[2-(3-phenylpropoxy)phenyl]-1,3-dihydroquinazolin-4-one?
2-methyl-2-[2-(3-phenylpropoxy)phenyl]-1,3-dihydroquinazolin-4-one has a molecular weight of 372.47 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(3-phenylpropoxy)phenyl]-1,3-dihydroquinazolin-4-one is sourced from PubChem (CID 54780757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).