3-benzyl-1-methyl-2-phenyl-2,4-dihydroquinazolin-6-ol

C22H22N2O — CID 127031027

IUPAC3-benzyl-1-methyl-2-phenyl-2,4-dihydroquinazolin-6-ol
SMILESCN1c2ccc(O)cc2CN(Cc2ccccc2)C1c1ccccc1
InChIInChI=1S/C22H22N2O/c1-23-21-13-12-20(25)14-19(21)16-24(15-17-8-4-2-5-9-17)22(23)18-10-6-3-7-11-18/h2-14,22,25H,15-16H2,1H3
InChIKeyHLMXMLZTJSAWHE-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.54
Rot. Bonds3

About 3-benzyl-1-methyl-2-phenyl-2,4-dihydroquinazolin-6-ol

3-benzyl-1-methyl-2-phenyl-2,4-dihydroquinazolin-6-ol (PubChem CID 127031027) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-benzyl-1-methyl-2-phenyl-2,4-dihydroquinazolin-6-ol.

Molecular Properties

Compound Name3-benzyl-1-methyl-2-phenyl-2,4-dihydroquinazolin-6-ol
PubChem CID127031027
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name3-benzyl-1-methyl-2-phenyl-2,4-dihydroquinazolin-6-ol
SMILESCN1c2ccc(O)cc2CN(Cc2ccccc2)C1c1ccccc1
InChIInChI=1S/C22H22N2O/c1-23-21-13-12-20(25)14-19(21)16-24(15-17-8-4-2-5-9-17)22(23)18-10-6-3-7-11-18/h2-14,22,25H,15-16H2,1H3
InChIKeyHLMXMLZTJSAWHE-UHFFFAOYSA-N
XLogP4.54
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Hydroxyimipramine
CID 108051
Phenol, p-(dibenzylamino)-
CID 81978
4-(4-Benzylpiperazin-1-yl)phenol
CID 8690650
1-[2-(4-Benzyl-piperidin-1-ylmethyl)-4-hydroxy-phenyl]-3-(3-cyano-phenyl)-urea
CID 11048458
1-Benzyl-2,2,4-trimethylquinolin-6-ol
CID 45484215
1-[2-[(4-Benzyl-1-methylpiperidin-1-ium-1-yl)methyl]-4-hydroxyphenyl]-3-(3-cyanophenyl)urea iodide
CID 11103844
3-[[3-(N-benzylanilino)propylamino]methyl]phenol
CID 44531805
1-Benzyl-2,2-dimethylquinolin-6-ol
CID 45484219
2,2,4-Trimethyl-1-[(4-methylphenyl)methyl]quinolin-6-ol
CID 45484251
1-Benzyl-2,2,4-trimethylquinolin-6-ol;hydrochloride
CID 50993933
2,8-Dimethoxy-6H,12H-5,11-methanodibenzo[b,f][1,5]diazocin
CID 15183879
1,9-Diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene-5,13-diol
CID 44359445

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-methyl-2-phenyl-2,4-dihydroquinazolin-6-ol?
The IUPAC name of 3-benzyl-1-methyl-2-phenyl-2,4-dihydroquinazolin-6-ol (CID 127031027) is 3-benzyl-1-methyl-2-phenyl-2,4-dihydroquinazolin-6-ol.
What is the SMILES notation for 3-benzyl-1-methyl-2-phenyl-2,4-dihydroquinazolin-6-ol?
The canonical SMILES for 3-benzyl-1-methyl-2-phenyl-2,4-dihydroquinazolin-6-ol is CN1c2ccc(O)cc2CN(Cc2ccccc2)C1c1ccccc1.
What is the InChIKey of 3-benzyl-1-methyl-2-phenyl-2,4-dihydroquinazolin-6-ol?
The InChIKey is HLMXMLZTJSAWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-23-21-13-12-20(25)14-19(21)16-24(15-17-8-4-2-5-9-17)22(23)18-10-6-3-7-11-18/h2-14,22,25H,15-16H2,1H3.
What are the key properties of 3-benzyl-1-methyl-2-phenyl-2,4-dihydroquinazolin-6-ol?
3-benzyl-1-methyl-2-phenyl-2,4-dihydroquinazolin-6-ol has a molecular weight of 330.43 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-methyl-2-phenyl-2,4-dihydroquinazolin-6-ol is sourced from PubChem (CID 127031027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).