3-benzyl-2-benzylsulfanyl-6-[2-(diethylamino)ethoxy]quinazolin-4-one

C28H31N3O2S — CID 162670237

IUPAC3-benzyl-2-benzylsulfanyl-6-[2-(diethylamino)ethoxy]quinazolin-4-one
SMILESCCN(CC)CCOc1ccc2nc(SCc3ccccc3)n(Cc3ccccc3)c(=O)c2c1
InChIInChI=1S/C28H31N3O2S/c1-3-30(4-2)17-18-33-24-15-16-26-25(19-24)27(32)31(20-22-11-7-5-8-12-22)28(29-26)34-21-23-13-9-6-10-14-23/h5-16,19H,3-4,17-18,20-21H2,1-2H3
InChIKeyJLSKQRSULBZTOV-UHFFFAOYSA-N
MW473.64 g/mol
LogP5.46
Rot. Bonds11

About 3-benzyl-2-benzylsulfanyl-6-[2-(diethylamino)ethoxy]quinazolin-4-one

3-benzyl-2-benzylsulfanyl-6-[2-(diethylamino)ethoxy]quinazolin-4-one (PubChem CID 162670237) has the molecular formula C28H31N3O2S and a molecular weight of 473.64 g/mol. Its IUPAC name is 3-benzyl-2-benzylsulfanyl-6-[2-(diethylamino)ethoxy]quinazolin-4-one.

Molecular Properties

Compound Name3-benzyl-2-benzylsulfanyl-6-[2-(diethylamino)ethoxy]quinazolin-4-one
PubChem CID162670237
Molecular FormulaC28H31N3O2S
Molecular Weight473.64 g/mol
Exact Mass473.21
IUPAC Name3-benzyl-2-benzylsulfanyl-6-[2-(diethylamino)ethoxy]quinazolin-4-one
SMILESCCN(CC)CCOc1ccc2nc(SCc3ccccc3)n(Cc3ccccc3)c(=O)c2c1
InChIInChI=1S/C28H31N3O2S/c1-3-30(4-2)17-18-33-24-15-16-26-25(19-24)27(32)31(20-22-11-7-5-8-12-22)28(29-26)34-21-23-13-9-6-10-14-23/h5-16,19H,3-4,17-18,20-21H2,1-2H3
InChIKeyJLSKQRSULBZTOV-UHFFFAOYSA-N
XLogP5.46
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.64
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-benzyl-2-benzylsulfanyl-6-[2-(diethylamino)ethoxy]quinazolin-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-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-benzyl-6-[2-(dimethylamino)ethoxy]quinazolin-4-one
CID 162664532
2-benzylsulfanyl-3-ethylbenzo[g]quinazolin-4-one
CID 8674808
3-benzyl-2-[(3-methoxyphenyl)methylsulfanyl]benzo[g]quinazolin-4-one
CID 155522820
3-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]quinazolin-4-one
CID 51365410
3-benzyl-6-methyl-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]quinazolin-4-one
CID 134151852
3-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]quinazolin-4-one
CID 51365745
3-benzyl-2-(3-phenoxypropylsulfanyl)quinazolin-4-one
CID 7626724
2-[2-(4-methylphenoxy)ethylsulfanyl]-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 7227057
2-(3-benzyl-6-bromo-4-oxoquinazolin-2-yl)sulfanyl-N,N-diethylacetamide
CID 2980769
6-bromo-3-ethyl-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylsulfanyl]quinazolin-4-one
CID 60585759
6-[(3-benzyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione
CID 55479096
3-[(4-methoxyphenyl)methyl]-2-(2-phenylethylsulfanyl)quinazolin-4-one
CID 51365408

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-benzylsulfanyl-6-[2-(diethylamino)ethoxy]quinazolin-4-one?
The IUPAC name of 3-benzyl-2-benzylsulfanyl-6-[2-(diethylamino)ethoxy]quinazolin-4-one (CID 162670237) is 3-benzyl-2-benzylsulfanyl-6-[2-(diethylamino)ethoxy]quinazolin-4-one.
What is the SMILES notation for 3-benzyl-2-benzylsulfanyl-6-[2-(diethylamino)ethoxy]quinazolin-4-one?
The canonical SMILES for 3-benzyl-2-benzylsulfanyl-6-[2-(diethylamino)ethoxy]quinazolin-4-one is CCN(CC)CCOc1ccc2nc(SCc3ccccc3)n(Cc3ccccc3)c(=O)c2c1.
What is the InChIKey of 3-benzyl-2-benzylsulfanyl-6-[2-(diethylamino)ethoxy]quinazolin-4-one?
The InChIKey is JLSKQRSULBZTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O2S/c1-3-30(4-2)17-18-33-24-15-16-26-25(19-24)27(32)31(20-22-11-7-5-8-12-22)28(29-26)34-21-23-13-9-6-10-14-23/h5-16,19H,3-4,17-18,20-21H2,1-2H3.
What are the key properties of 3-benzyl-2-benzylsulfanyl-6-[2-(diethylamino)ethoxy]quinazolin-4-one?
3-benzyl-2-benzylsulfanyl-6-[2-(diethylamino)ethoxy]quinazolin-4-one has a molecular weight of 473.64 g/mol, XLogP of 5.46, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-benzylsulfanyl-6-[2-(diethylamino)ethoxy]quinazolin-4-one is sourced from PubChem (CID 162670237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).