2-[2-(1-benzothiophen-3-yl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide

C20H19N3O2S — CID 71897725

IUPAC2-[2-(1-benzothiophen-3-yl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1c2ccccc2C(=O)N(C)C1c1csc2ccccc12
InChIInChI=1S/C20H19N3O2S/c1-21-18(24)11-23-16-9-5-3-8-14(16)20(25)22(2)19(23)15-12-26-17-10-6-4-7-13(15)17/h3-10,12,19H,11H2,1-2H3,(H,21,24)
InChIKeyABHLLPVSLVVYBF-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.24
Rot. Bonds3

About 2-[2-(1-benzothiophen-3-yl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide

2-[2-(1-benzothiophen-3-yl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide (PubChem CID 71897725) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-[2-(1-benzothiophen-3-yl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(1-benzothiophen-3-yl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
PubChem CID71897725
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name2-[2-(1-benzothiophen-3-yl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1c2ccccc2C(=O)N(C)C1c1csc2ccccc12
InChIInChI=1S/C20H19N3O2S/c1-21-18(24)11-23-16-9-5-3-8-14(16)20(25)22(2)19(23)15-12-26-17-10-6-4-7-13(15)17/h3-10,12,19H,11H2,1-2H3,(H,21,24)
InChIKeyABHLLPVSLVVYBF-UHFFFAOYSA-N
XLogP3.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-2-(4-bromothiophen-2-yl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
CID 30872763
2-[2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
CID 55598140
N-methyl-2-[3-methyl-2-(3-methylfuran-2-yl)-4-oxo-2H-quinazolin-1-yl]acetamide
CID 84584813
2-[(2R)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
CID 51936715
2-[(2S)-2-[2-(diethylamino)-1,3-thiazol-5-yl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
CID 51966208
2-[2-[3-(difluoromethoxy)-4-methoxyphenyl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
CID 55599170
2-[2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
CID 47025350
2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-N-methylacetamide
CID 17434577
5-(1-benzothiophen-3-yl)-1-methylimidazolidin-2-one
CID 116855972
(2S)-2-(4-hydroxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one
CID 7106412
2-(2-chlorophenyl)-1,3-dimethyl-2H-quinazolin-4-one
CID 3121405
(2S,3S)-2-(1-benzothiophen-3-yl)-1-(3-methoxypropyl)-6-oxopiperidine-3-carboxylic acid
CID 95281291

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzothiophen-3-yl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[2-(1-benzothiophen-3-yl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide (CID 71897725) is 2-[2-(1-benzothiophen-3-yl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[2-(1-benzothiophen-3-yl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[2-(1-benzothiophen-3-yl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide is CNC(=O)CN1c2ccccc2C(=O)N(C)C1c1csc2ccccc12.
What is the InChIKey of 2-[2-(1-benzothiophen-3-yl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide?
The InChIKey is ABHLLPVSLVVYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-21-18(24)11-23-16-9-5-3-8-14(16)20(25)22(2)19(23)15-12-26-17-10-6-4-7-13(15)17/h3-10,12,19H,11H2,1-2H3,(H,21,24).
What are the key properties of 2-[2-(1-benzothiophen-3-yl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide?
2-[2-(1-benzothiophen-3-yl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide has a molecular weight of 365.46 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-benzothiophen-3-yl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide is sourced from PubChem (CID 71897725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).