2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

C17H15N3O3S — CID 860123

IUPAC2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCOc1cccc(-n2c(SCC(N)=O)nc3ccccc3c2=O)c1
InChIInChI=1S/C17H15N3O3S/c1-23-12-6-4-5-11(9-12)20-16(22)13-7-2-3-8-14(13)19-17(20)24-10-15(18)21/h2-9H,10H2,1H3,(H2,18,21)
InChIKeyOUZNLTMTXMVQLL-UHFFFAOYSA-N
MW341.39 g/mol
LogP1.97
Rot. Bonds5

About 2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (PubChem CID 860123) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is 2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
PubChem CID860123
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCOc1cccc(-n2c(SCC(N)=O)nc3ccccc3c2=O)c1
InChIInChI=1S/C17H15N3O3S/c1-23-12-6-4-5-11(9-12)20-16(22)13-7-2-3-8-14(13)19-17(20)24-10-15(18)21/h2-9H,10H2,1H3,(H2,18,21)
InChIKeyOUZNLTMTXMVQLL-UHFFFAOYSA-N
XLogP1.97
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The IUPAC name of 2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (CID 860123) is 2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for 2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for 2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is COc1cccc(-n2c(SCC(N)=O)nc3ccccc3c2=O)c1.
What is the InChIKey of 2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The InChIKey is OUZNLTMTXMVQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-23-12-6-4-5-11(9-12)20-16(22)13-7-2-3-8-14(13)19-17(20)24-10-15(18)21/h2-9H,10H2,1H3,(H2,18,21).
What are the key properties of 2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide has a molecular weight of 341.39 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 860123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).