3-(4-butylphenyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one

C24H24N2O2 — CID 176687363

IUPAC3-(4-butylphenyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCCCCc1ccc(N2C(=O)c3ccccc3NC2c2ccccc2O)cc1
InChIInChI=1S/C24H24N2O2/c1-2-3-8-17-13-15-18(16-14-17)26-23(20-10-5-7-12-22(20)27)25-21-11-6-4-9-19(21)24(26)28/h4-7,9-16,23,25,27H,2-3,8H2,1H3
InChIKeyYMAYZCAUGMJLJH-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.51
Rot. Bonds5

About 3-(4-butylphenyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one

3-(4-butylphenyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 176687363) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-(4-butylphenyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-(4-butylphenyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID176687363
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name3-(4-butylphenyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCCCCc1ccc(N2C(=O)c3ccccc3NC2c2ccccc2O)cc1
InChIInChI=1S/C24H24N2O2/c1-2-3-8-17-13-15-18(16-14-17)26-23(20-10-5-7-12-22(20)27)25-21-11-6-4-9-19(21)24(26)28/h4-7,9-16,23,25,27H,2-3,8H2,1H3
InChIKeyYMAYZCAUGMJLJH-UHFFFAOYSA-N
XLogP5.51
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(2R)-3-(4-butylphenyl)-2-(2-chlorophenyl)-1,2-dihydroquinazolin-4-one
CID 2253283
3-(4-butylphenyl)-2-naphthalen-2-yl-1,2-dihydroquinazolin-4-one
CID 176687398
3-(4-butylphenyl)-2-(3,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one
CID 176687506
2-phenyl-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one
CID 176687508
2-(3-bromo-2-methoxyphenyl)-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one
CID 176687519
(2R)-2-[4-[(4-bromophenyl)methoxy]phenyl]-3-(4-butylphenyl)-1,2-dihydroquinazolin-4-one
CID 124529838
2-(4-chlorophenyl)-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one
CID 176687571
(2R)-2-(2,3-dihydroxyphenyl)-3-(4-ethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9006631
2-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 3846487
2-(2-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
CID 60587937
2-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 2901716
2-[4-(dimethylamino)phenyl]-3-(4-ethylphenyl)-1,2-dihydroquinazolin-4-one
CID 5084249

Frequently Asked Questions

What is the IUPAC name of 3-(4-butylphenyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-(4-butylphenyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one (CID 176687363) is 3-(4-butylphenyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-(4-butylphenyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-(4-butylphenyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one is CCCCc1ccc(N2C(=O)c3ccccc3NC2c2ccccc2O)cc1.
What is the InChIKey of 3-(4-butylphenyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is YMAYZCAUGMJLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-2-3-8-17-13-15-18(16-14-17)26-23(20-10-5-7-12-22(20)27)25-21-11-6-4-9-19(21)24(26)28/h4-7,9-16,23,25,27H,2-3,8H2,1H3.
What are the key properties of 3-(4-butylphenyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one?
3-(4-butylphenyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 372.47 g/mol, XLogP of 5.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butylphenyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 176687363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).