2-[(4-phenylphenyl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one

C24H20N2OS — CID 16537910

IUPAC2-[(4-phenylphenyl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one
SMILESC=CCn1c(SCc2ccc(-c3ccccc3)cc2)nc2ccccc2c1=O
InChIInChI=1S/C24H20N2OS/c1-2-16-26-23(27)21-10-6-7-11-22(21)25-24(26)28-17-18-12-14-20(15-13-18)19-8-4-3-5-9-19/h2-15H,1,16-17H2
InChIKeyTUPYDYNOTCMPPM-UHFFFAOYSA-N
MW384.50 g/mol
LogP5.54
Rot. Bonds6

About 2-[(4-phenylphenyl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one

2-[(4-phenylphenyl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one (PubChem CID 16537910) has the molecular formula C24H20N2OS and a molecular weight of 384.50 g/mol. Its IUPAC name is 2-[(4-phenylphenyl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one.

Molecular Properties

Compound Name2-[(4-phenylphenyl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one
PubChem CID16537910
Molecular FormulaC24H20N2OS
Molecular Weight384.50 g/mol
Exact Mass384.13
IUPAC Name2-[(4-phenylphenyl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one
SMILESC=CCn1c(SCc2ccc(-c3ccccc3)cc2)nc2ccccc2c1=O
InChIInChI=1S/C24H20N2OS/c1-2-16-26-23(27)21-10-6-7-11-22(21)25-24(26)28-17-18-12-14-20(15-13-18)19-8-4-3-5-9-19/h2-15H,1,16-17H2
InChIKeyTUPYDYNOTCMPPM-UHFFFAOYSA-N
XLogP5.54
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.50
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(4-phenylphenyl)methylsulfanyl]-3-prop-2-enylquinazolin-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-[(6-chloro-3-pyridinyl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one
CID 31048499
2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetate
CID 6943444
2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one
CID 2080830
3-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]quinazolin-4-one
CID 51365745
2-[2-(4-methoxyphenyl)ethylsulfanyl]-3-prop-2-enylquinazolin-4-one
CID 2662516
2-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-3-prop-2-enylquinazolin-4-one
CID 36562784
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-3-prop-2-enylquinazolin-4-one
CID 9407358
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-3-prop-2-enylquinazolin-4-one
CID 41361416
2-(3-hydroxy-3-methylbutyl)sulfanyl-3-prop-2-enylquinazolin-4-one
CID 111537026
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide
CID 9407346
2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one
CID 41361138
2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one
CID 8947099

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenylphenyl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one?
The IUPAC name of 2-[(4-phenylphenyl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one (CID 16537910) is 2-[(4-phenylphenyl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one.
What is the SMILES notation for 2-[(4-phenylphenyl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one?
The canonical SMILES for 2-[(4-phenylphenyl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one is C=CCn1c(SCc2ccc(-c3ccccc3)cc2)nc2ccccc2c1=O.
What is the InChIKey of 2-[(4-phenylphenyl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one?
The InChIKey is TUPYDYNOTCMPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2OS/c1-2-16-26-23(27)21-10-6-7-11-22(21)25-24(26)28-17-18-12-14-20(15-13-18)19-8-4-3-5-9-19/h2-15H,1,16-17H2.
What are the key properties of 2-[(4-phenylphenyl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one?
2-[(4-phenylphenyl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one has a molecular weight of 384.50 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenylphenyl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one is sourced from PubChem (CID 16537910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).