methyl 3-(6-methoxyquinazolin-4-yl)sulfanylpropanoate

C13H14N2O3S — CID 21002930

IUPACmethyl 3-(6-methoxyquinazolin-4-yl)sulfanylpropanoate
SMILESCOC(=O)CCSc1ncnc2ccc(OC)cc12
InChIInChI=1S/C13H14N2O3S/c1-17-9-3-4-11-10(7-9)13(15-8-14-11)19-6-5-12(16)18-2/h3-4,7-8H,5-6H2,1-2H3
InChIKeyTXPVVIDGOBZGDP-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.29
Rot. Bonds5

About methyl 3-(6-methoxyquinazolin-4-yl)sulfanylpropanoate

methyl 3-(6-methoxyquinazolin-4-yl)sulfanylpropanoate (PubChem CID 21002930) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is methyl 3-(6-methoxyquinazolin-4-yl)sulfanylpropanoate.

Molecular Properties

Compound Namemethyl 3-(6-methoxyquinazolin-4-yl)sulfanylpropanoate
PubChem CID21002930
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Namemethyl 3-(6-methoxyquinazolin-4-yl)sulfanylpropanoate
SMILESCOC(=O)CCSc1ncnc2ccc(OC)cc12
InChIInChI=1S/C13H14N2O3S/c1-17-9-3-4-11-10(7-9)13(15-8-14-11)19-6-5-12(16)18-2/h3-4,7-8H,5-6H2,1-2H3
InChIKeyTXPVVIDGOBZGDP-UHFFFAOYSA-N
XLogP2.29
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-(6-methoxyquinazolin-4-yl)sulfanylpropanoate 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

3-(7-methoxyquinazolin-4-yl)sulfanylpropanoic acid
CID 21003198
methyl 3-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]propanoate
CID 119056769
methyl 3-(6-methoxyquinolin-4-yl)-3-oxopropanoate
CID 82665606
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-quinazolin-4-ylsulfanylacetamide
CID 9325587
3-quinazolin-4-ylsulfanylpropanoic acid
CID 723893
2-[(6-methoxyquinazolin-4-yl)amino]ethanol
CID 21002851
N-[2-(6-methoxyquinazolin-4-yl)ethyl]propanamide
CID 162656758
4-(2-methoxy-2-oxoethyl)sulfanylquinazoline-7-carboxylic acid
CID 63264184
1-(3-methoxy-3-oxopropyl)sulfanylisoquinoline-4-carboxylic acid
CID 106767781
4-amino-2-[(6-methoxyquinazolin-4-yl)amino]-4-oxobutanoic acid
CID 21002885
tert-butyl 2-(6-aminoquinazolin-4-yl)sulfanylacetate
CID 116686734
2-(6-methoxyquinazolin-4-yl)ethanamine
CID 105455353

Frequently Asked Questions

What is the IUPAC name of methyl 3-(6-methoxyquinazolin-4-yl)sulfanylpropanoate?
The IUPAC name of methyl 3-(6-methoxyquinazolin-4-yl)sulfanylpropanoate (CID 21002930) is methyl 3-(6-methoxyquinazolin-4-yl)sulfanylpropanoate.
What is the SMILES notation for methyl 3-(6-methoxyquinazolin-4-yl)sulfanylpropanoate?
The canonical SMILES for methyl 3-(6-methoxyquinazolin-4-yl)sulfanylpropanoate is COC(=O)CCSc1ncnc2ccc(OC)cc12.
What is the InChIKey of methyl 3-(6-methoxyquinazolin-4-yl)sulfanylpropanoate?
The InChIKey is TXPVVIDGOBZGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-17-9-3-4-11-10(7-9)13(15-8-14-11)19-6-5-12(16)18-2/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of methyl 3-(6-methoxyquinazolin-4-yl)sulfanylpropanoate?
methyl 3-(6-methoxyquinazolin-4-yl)sulfanylpropanoate has a molecular weight of 278.33 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6-methoxyquinazolin-4-yl)sulfanylpropanoate is sourced from PubChem (CID 21002930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).