2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide

C19H16N6O3S — CID 46397020

IUPAC2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCOc1ccccc1-n1c(SCC(=O)Nc2ncn[nH]2)nc2ccccc2c1=O
InChIInChI=1S/C19H16N6O3S/c1-28-15-9-5-4-8-14(15)25-17(27)12-6-2-3-7-13(12)22-19(25)29-10-16(26)23-18-20-11-21-24-18/h2-9,11H,10H2,1H3,(H2,20,21,23,24,26)
InChIKeyUQPXUUGAYKNNOE-UHFFFAOYSA-N
MW408.44 g/mol
LogP2.24
Rot. Bonds6

About 2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide

2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 46397020) has the molecular formula C19H16N6O3S and a molecular weight of 408.44 g/mol. Its IUPAC name is 2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID46397020
Molecular FormulaC19H16N6O3S
Molecular Weight408.44 g/mol
Exact Mass408.10
IUPAC Name2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCOc1ccccc1-n1c(SCC(=O)Nc2ncn[nH]2)nc2ccccc2c1=O
InChIInChI=1S/C19H16N6O3S/c1-28-15-9-5-4-8-14(15)25-17(27)12-6-2-3-7-13(12)22-19(25)29-10-16(26)23-18-20-11-21-24-18/h2-9,11H,10H2,1H3,(H2,20,21,23,24,26)
InChIKeyUQPXUUGAYKNNOE-UHFFFAOYSA-N
XLogP2.24
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide with MolForge

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Related Compounds

N-(2-chlorophenyl)-2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1071941
N-(4-bromophenyl)-2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4782004
methyl 2-[[2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoate
CID 2961773
N-[(4-fluorophenyl)methyl]-2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 35657298
2-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 46397007
2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 46397019
ethyl N-[2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]carbamate
CID 7456479
N-[(4-chlorophenyl)methyl]-2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4826900
N-(3-cyanophenyl)-2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4782641
2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 41001240
methyl 4-[[2-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoate
CID 1155436
2-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide
CID 2486709

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 46397020) is 2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide is COc1ccccc1-n1c(SCC(=O)Nc2ncn[nH]2)nc2ccccc2c1=O.
What is the InChIKey of 2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is UQPXUUGAYKNNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O3S/c1-28-15-9-5-4-8-14(15)25-17(27)12-6-2-3-7-13(12)22-19(25)29-10-16(26)23-18-20-11-21-24-18/h2-9,11H,10H2,1H3,(H2,20,21,23,24,26).
What are the key properties of 2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 408.44 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 46397020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).