2-(3-ethyl-6,7-dimethoxy-4-oxoquinazolin-2-yl)sulfanylacetic acid

C14H16N2O5S — CID 7174419

IUPAC2-(3-ethyl-6,7-dimethoxy-4-oxoquinazolin-2-yl)sulfanylacetic acid
SMILESCCn1c(SCC(=O)O)nc2cc(OC)c(OC)cc2c1=O
InChIInChI=1S/C14H16N2O5S/c1-4-16-13(19)8-5-10(20-2)11(21-3)6-9(8)15-14(16)22-7-12(17)18/h5-6H,4,7H2,1-3H3,(H,17,18)
InChIKeyDVAZUXXIPNYLAJ-UHFFFAOYSA-N
MW324.36 g/mol
LogP1.61
Rot. Bonds6

About 2-(3-ethyl-6,7-dimethoxy-4-oxoquinazolin-2-yl)sulfanylacetic acid

2-(3-ethyl-6,7-dimethoxy-4-oxoquinazolin-2-yl)sulfanylacetic acid (PubChem CID 7174419) has the molecular formula C14H16N2O5S and a molecular weight of 324.36 g/mol. Its IUPAC name is 2-(3-ethyl-6,7-dimethoxy-4-oxoquinazolin-2-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(3-ethyl-6,7-dimethoxy-4-oxoquinazolin-2-yl)sulfanylacetic acid
PubChem CID7174419
Molecular FormulaC14H16N2O5S
Molecular Weight324.36 g/mol
Exact Mass324.08
IUPAC Name2-(3-ethyl-6,7-dimethoxy-4-oxoquinazolin-2-yl)sulfanylacetic acid
SMILESCCn1c(SCC(=O)O)nc2cc(OC)c(OC)cc2c1=O
InChIInChI=1S/C14H16N2O5S/c1-4-16-13(19)8-5-10(20-2)11(21-3)6-9(8)15-14(16)22-7-12(17)18/h5-6H,4,7H2,1-3H3,(H,17,18)
InChIKeyDVAZUXXIPNYLAJ-UHFFFAOYSA-N
XLogP1.61
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(6,7-dimethoxy-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetic acid
CID 7174417
2-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetic acid
CID 7174443
7-butoxy-3-ethyl-6-methoxy-2-methylquinazolin-4-one
CID 134112398
2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 8674846
2-(3-ethyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 1214252
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 55366480
N-benzyl-2-[3-[2-(4-chlorophenyl)ethyl]-6,7-dimethoxy-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3482548
2-[3-(2-methoxy-2-oxoethyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid
CID 14721779
5-ethyl-2,3,8,9-tetramethoxyphenanthridin-6-one
CID 10405159
2-[3-(furan-2-ylmethyl)-6,7-dimethoxy-4-oxoquinazolin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 3238634
2-(1-ethylbenzimidazol-2-yl)sulfanylacetic acid
CID 720898
N'-acetyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetohydrazide
CID 8674995

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-6,7-dimethoxy-4-oxoquinazolin-2-yl)sulfanylacetic acid?
The IUPAC name of 2-(3-ethyl-6,7-dimethoxy-4-oxoquinazolin-2-yl)sulfanylacetic acid (CID 7174419) is 2-(3-ethyl-6,7-dimethoxy-4-oxoquinazolin-2-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(3-ethyl-6,7-dimethoxy-4-oxoquinazolin-2-yl)sulfanylacetic acid?
The canonical SMILES for 2-(3-ethyl-6,7-dimethoxy-4-oxoquinazolin-2-yl)sulfanylacetic acid is CCn1c(SCC(=O)O)nc2cc(OC)c(OC)cc2c1=O.
What is the InChIKey of 2-(3-ethyl-6,7-dimethoxy-4-oxoquinazolin-2-yl)sulfanylacetic acid?
The InChIKey is DVAZUXXIPNYLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5S/c1-4-16-13(19)8-5-10(20-2)11(21-3)6-9(8)15-14(16)22-7-12(17)18/h5-6H,4,7H2,1-3H3,(H,17,18).
What are the key properties of 2-(3-ethyl-6,7-dimethoxy-4-oxoquinazolin-2-yl)sulfanylacetic acid?
2-(3-ethyl-6,7-dimethoxy-4-oxoquinazolin-2-yl)sulfanylacetic acid has a molecular weight of 324.36 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-6,7-dimethoxy-4-oxoquinazolin-2-yl)sulfanylacetic acid is sourced from PubChem (CID 7174419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).