2-benzyl-3-(4-methoxyphenyl)quinazolin-4-one

C22H18N2O2 — CID 1130557

IUPAC2-benzyl-3-(4-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccc(-n2c(Cc3ccccc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C22H18N2O2/c1-26-18-13-11-17(12-14-18)24-21(15-16-7-3-2-4-8-16)23-20-10-6-5-9-19(20)22(24)25/h2-14H,15H2,1H3
InChIKeyLVIBGXVTBDBOLW-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.99
Rot. Bonds4

About 2-benzyl-3-(4-methoxyphenyl)quinazolin-4-one

2-benzyl-3-(4-methoxyphenyl)quinazolin-4-one (PubChem CID 1130557) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-benzyl-3-(4-methoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-benzyl-3-(4-methoxyphenyl)quinazolin-4-one
PubChem CID1130557
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name2-benzyl-3-(4-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccc(-n2c(Cc3ccccc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C22H18N2O2/c1-26-18-13-11-17(12-14-18)24-21(15-16-7-3-2-4-8-16)23-20-10-6-5-9-19(20)22(24)25/h2-14H,15H2,1H3
InChIKeyLVIBGXVTBDBOLW-UHFFFAOYSA-N
XLogP3.99
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione
CID 1366773
2-amino-3-(4-methoxyphenyl)quinazolin-4-one
CID 71652488
2-(butylaminomethyl)-3-(4-methoxyphenyl)quinazolin-4-one
CID 131874393
3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 708934
3-(4-methoxyphenyl)-2-methylsulfanylquinazolin-4-one
CID 659793
3-(4-methoxyphenyl)-2-(trifluoromethyl)quinazolin-4-one
CID 3970898
3-[4-(4-oxo-2-propylquinazolin-3-yl)phenyl]-2-propylquinazolin-4-one
CID 12631795
2-ethyl-3-phenylquinazolin-4-one
CID 719985
3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 5336410
ethane;2-ethyl-3-(4-methylphenyl)quinazolin-4-one
CID 90844218
6-methoxy-3-phenyl-2-propylquinazolin-4-one
CID 154639055
2-(bromomethyl)-3-(4-methylphenyl)quinazolin-4-one
CID 15561402

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(4-methoxyphenyl)quinazolin-4-one?
The IUPAC name of 2-benzyl-3-(4-methoxyphenyl)quinazolin-4-one (CID 1130557) is 2-benzyl-3-(4-methoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 2-benzyl-3-(4-methoxyphenyl)quinazolin-4-one?
The canonical SMILES for 2-benzyl-3-(4-methoxyphenyl)quinazolin-4-one is COc1ccc(-n2c(Cc3ccccc3)nc3ccccc3c2=O)cc1.
What is the InChIKey of 2-benzyl-3-(4-methoxyphenyl)quinazolin-4-one?
The InChIKey is LVIBGXVTBDBOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-26-18-13-11-17(12-14-18)24-21(15-16-7-3-2-4-8-16)23-20-10-6-5-9-19(20)22(24)25/h2-14H,15H2,1H3.
What are the key properties of 2-benzyl-3-(4-methoxyphenyl)quinazolin-4-one?
2-benzyl-3-(4-methoxyphenyl)quinazolin-4-one has a molecular weight of 342.40 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(4-methoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 1130557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).