methyl 2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate

C19H18N2O3S — CID 1432217

IUPACmethyl 2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate
SMILESCCc1ccccc1-n1c(SCC(=O)OC)nc2ccccc2c1=O
InChIInChI=1S/C19H18N2O3S/c1-3-13-8-4-7-11-16(13)21-18(23)14-9-5-6-10-15(14)20-19(21)25-12-17(22)24-2/h4-11H,3,12H2,1-2H3
InChIKeyMIVCVJQCWQEXCI-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.21
Rot. Bonds5

About methyl 2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate

methyl 2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate (PubChem CID 1432217) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is methyl 2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate
PubChem CID1432217
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Namemethyl 2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate
SMILESCCc1ccccc1-n1c(SCC(=O)OC)nc2ccccc2c1=O
InChIInChI=1S/C19H18N2O3S/c1-3-13-8-4-7-11-16(13)21-18(23)14-9-5-6-10-15(14)20-19(21)25-12-17(22)24-2/h4-11H,3,12H2,1-2H3
InChIKeyMIVCVJQCWQEXCI-UHFFFAOYSA-N
XLogP3.21
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(methylcarbamoyl)acetamide
CID 8665789
2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylpropyl)acetamide
CID 8665777
methyl 2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate
CID 4826303
2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylbutyl)acetamide
CID 8665776
methyl 2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetate
CID 17403778
(2S)-2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propan-2-ylpropanamide
CID 8665827
methyl 2-(3-anilino-4-oxoquinazolin-2-yl)sulfanylacetate
CID 17415513
methyl 2-[2-(2-methoxy-2-oxoethyl)sulfanyl-4-oxoquinazolin-3-yl]oxyacetate
CID 661998
N-(2-cyanopropan-2-yl)-2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide
CID 8665831
N-(2-cyanoethyl)-2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide
CID 8665771
N-ethyl-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2696020
methyl 2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetate
CID 18074079

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate?
The IUPAC name of methyl 2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate (CID 1432217) is methyl 2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate.
What is the SMILES notation for methyl 2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate?
The canonical SMILES for methyl 2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate is CCc1ccccc1-n1c(SCC(=O)OC)nc2ccccc2c1=O.
What is the InChIKey of methyl 2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate?
The InChIKey is MIVCVJQCWQEXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-3-13-8-4-7-11-16(13)21-18(23)14-9-5-6-10-15(14)20-19(21)25-12-17(22)24-2/h4-11H,3,12H2,1-2H3.
What are the key properties of methyl 2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate?
methyl 2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate has a molecular weight of 354.43 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate is sourced from PubChem (CID 1432217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).