methyl 2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetate

C16H13N3O3S — CID 17403778

IUPACmethyl 2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetate
SMILESCOC(=O)CSc1nc2ccccc2c(=O)n1-c1cccnc1
InChIInChI=1S/C16H13N3O3S/c1-22-14(20)10-23-16-18-13-7-3-2-6-12(13)15(21)19(16)11-5-4-8-17-9-11/h2-9H,10H2,1H3
InChIKeyQQPKPZYSEIOMOL-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.05
Rot. Bonds4

About methyl 2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetate

methyl 2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetate (PubChem CID 17403778) has the molecular formula C16H13N3O3S and a molecular weight of 327.37 g/mol. Its IUPAC name is methyl 2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetate
PubChem CID17403778
Molecular FormulaC16H13N3O3S
Molecular Weight327.37 g/mol
Exact Mass327.07
IUPAC Namemethyl 2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetate
SMILESCOC(=O)CSc1nc2ccccc2c(=O)n1-c1cccnc1
InChIInChI=1S/C16H13N3O3S/c1-22-14(20)10-23-16-18-13-7-3-2-6-12(13)15(21)19(16)11-5-4-8-17-9-11/h2-9H,10H2,1H3
InChIKeyQQPKPZYSEIOMOL-UHFFFAOYSA-N
XLogP2.05
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-1-methoxypropan-2-yl]-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide
CID 41038076
N-[(2S)-3-methylbutan-2-yl]-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide
CID 40584082
N-(ethylcarbamoyl)-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide
CID 17401059
methyl 2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetate
CID 18074079
N-cyclohexyl-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide
CID 17400783
methyl 2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate
CID 1432217
2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetonitrile
CID 17403779
N-[1-(2-methylphenyl)propan-2-yl]-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide
CID 87018774
3-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-pyridin-3-ylpropanamide
CID 23973161
2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 6886795
2-ethoxyethyl 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetate
CID 14947183
2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 680931

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetate?
The IUPAC name of methyl 2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetate (CID 17403778) is methyl 2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetate.
What is the SMILES notation for methyl 2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetate?
The canonical SMILES for methyl 2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetate is COC(=O)CSc1nc2ccccc2c(=O)n1-c1cccnc1.
What is the InChIKey of methyl 2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetate?
The InChIKey is QQPKPZYSEIOMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3S/c1-22-14(20)10-23-16-18-13-7-3-2-6-12(13)15(21)19(16)11-5-4-8-17-9-11/h2-9H,10H2,1H3.
What are the key properties of methyl 2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetate?
methyl 2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetate has a molecular weight of 327.37 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetate is sourced from PubChem (CID 17403778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).