2-ethylsulfanyl-6,7-dimethoxy-3-(2-phenylethyl)quinazolin-4-one

C20H22N2O3S — CID 2038131

IUPAC2-ethylsulfanyl-6,7-dimethoxy-3-(2-phenylethyl)quinazolin-4-one
SMILESCCSc1nc2cc(OC)c(OC)cc2c(=O)n1CCc1ccccc1
InChIInChI=1S/C20H22N2O3S/c1-4-26-20-21-16-13-18(25-3)17(24-2)12-15(16)19(23)22(20)11-10-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3
InChIKeyWKSCMROPLCMKCL-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.77
Rot. Bonds7

About 2-ethylsulfanyl-6,7-dimethoxy-3-(2-phenylethyl)quinazolin-4-one

2-ethylsulfanyl-6,7-dimethoxy-3-(2-phenylethyl)quinazolin-4-one (PubChem CID 2038131) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 2-ethylsulfanyl-6,7-dimethoxy-3-(2-phenylethyl)quinazolin-4-one.

Molecular Properties

Compound Name2-ethylsulfanyl-6,7-dimethoxy-3-(2-phenylethyl)quinazolin-4-one
PubChem CID2038131
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name2-ethylsulfanyl-6,7-dimethoxy-3-(2-phenylethyl)quinazolin-4-one
SMILESCCSc1nc2cc(OC)c(OC)cc2c(=O)n1CCc1ccccc1
InChIInChI=1S/C20H22N2O3S/c1-4-26-20-21-16-13-18(25-3)17(24-2)12-15(16)19(23)22(20)11-10-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3
InChIKeyWKSCMROPLCMKCL-UHFFFAOYSA-N
XLogP3.77
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

D-709119
CID 9863862
(6aS)-2,3-dimethoxy-8-(4-methylphenyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 10882588
(6aS)-8-(4-ethylphenyl)-2,3-dimethoxy-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 46907558
N-(6,7-dimethoxy-4-oxo-1,4-dihydroquinazolin-2-yl)benzamide
CID 135399549
6,7-Dimethoxy-3H-quinazolin-4-one
CID 135495016
7-Benzyloxy-6-methoxy-3H-quinazolin-4-one
CID 135404718
Ethyl 2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3-hydroquinazolin-2-ylthio}ace tate
CID 1071945
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(6-{[(diethylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)butanamide
CID 16033809
(6aS)-2,3-dimethoxy-8-[(E)-2-phenylethenyl]-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 46196691
(6aS)-8-[(E)-2-(4-fluorophenyl)ethenyl]-2,3-dimethoxy-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 46196693
(6aS)-2,3-dimethoxy-8-(3-methoxyphenyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 46907351
2-(3-benzyl-6,7-dimethoxy-4-oxoquinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 168271630

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-6,7-dimethoxy-3-(2-phenylethyl)quinazolin-4-one?
The IUPAC name of 2-ethylsulfanyl-6,7-dimethoxy-3-(2-phenylethyl)quinazolin-4-one (CID 2038131) is 2-ethylsulfanyl-6,7-dimethoxy-3-(2-phenylethyl)quinazolin-4-one.
What is the SMILES notation for 2-ethylsulfanyl-6,7-dimethoxy-3-(2-phenylethyl)quinazolin-4-one?
The canonical SMILES for 2-ethylsulfanyl-6,7-dimethoxy-3-(2-phenylethyl)quinazolin-4-one is CCSc1nc2cc(OC)c(OC)cc2c(=O)n1CCc1ccccc1.
What is the InChIKey of 2-ethylsulfanyl-6,7-dimethoxy-3-(2-phenylethyl)quinazolin-4-one?
The InChIKey is WKSCMROPLCMKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-4-26-20-21-16-13-18(25-3)17(24-2)12-15(16)19(23)22(20)11-10-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3.
What are the key properties of 2-ethylsulfanyl-6,7-dimethoxy-3-(2-phenylethyl)quinazolin-4-one?
2-ethylsulfanyl-6,7-dimethoxy-3-(2-phenylethyl)quinazolin-4-one has a molecular weight of 370.47 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-6,7-dimethoxy-3-(2-phenylethyl)quinazolin-4-one is sourced from PubChem (CID 2038131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).