2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylacetamide

C14H15N3O2S — CID 3149105

IUPAC2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSc1nc2ccccc2c(=O)n1C
InChIInChI=1S/C14H15N3O2S/c1-3-8-15-12(18)9-20-14-16-11-7-5-4-6-10(11)13(19)17(14)2/h3-7H,1,8-9H2,2H3,(H,15,18)
InChIKeyNNGZWWZBJGSFGH-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.33
Rot. Bonds5

About 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylacetamide

2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylacetamide (PubChem CID 3149105) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylacetamide
PubChem CID3149105
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSc1nc2ccccc2c(=O)n1C
InChIInChI=1S/C14H15N3O2S/c1-3-8-15-12(18)9-20-14-16-11-7-5-4-6-10(11)13(19)17(14)2/h3-7H,1,8-9H2,2H3,(H,15,18)
InChIKeyNNGZWWZBJGSFGH-UHFFFAOYSA-N
XLogP1.33
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 3895819
2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N-prop-2-enylacetamide
CID 2600171
3-methyl-2-prop-2-enylsulfanylquinazolin-4-one
CID 2138889
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 5110121
2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-prop-2-enylacetamide
CID 51283542
N-(3-methylbutan-2-yl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 51140960
3-methyl-2-(2-methylprop-2-enylsulfanyl)quinazolin-4-one
CID 2980541
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 34436819
2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)acetamide
CID 4813998
N-[2-(4-methoxyphenyl)ethyl]-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 35772302
N-(2,6-diethylphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 7421338
N-(tert-butylcarbamoyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 3656560

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylacetamide?
The IUPAC name of 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylacetamide (CID 3149105) is 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylacetamide?
The canonical SMILES for 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylacetamide is C=CCNC(=O)CSc1nc2ccccc2c(=O)n1C.
What is the InChIKey of 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylacetamide?
The InChIKey is NNGZWWZBJGSFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-3-8-15-12(18)9-20-14-16-11-7-5-4-6-10(11)13(19)17(14)2/h3-7H,1,8-9H2,2H3,(H,15,18).
What are the key properties of 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylacetamide?
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylacetamide has a molecular weight of 289.36 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylacetamide is sourced from PubChem (CID 3149105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).