4-(5-aminothiophen-2-yl)sulfanyl-7-(2-methoxyethoxy)quinolin-6-amine

C16H17N3O2S2 — CID 89363496

IUPAC4-(5-aminothiophen-2-yl)sulfanyl-7-(2-methoxyethoxy)quinolin-6-amine
SMILESCOCCOc1cc2nccc(Sc3ccc(N)s3)c2cc1N
InChIInChI=1S/C16H17N3O2S2/c1-20-6-7-21-13-9-12-10(8-11(13)17)14(4-5-19-12)22-16-3-2-15(18)23-16/h2-5,8-9H,6-7,17-18H2,1H3
InChIKeyCKPTVMCEGWQLJD-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.64
Rot. Bonds6

About 4-(5-aminothiophen-2-yl)sulfanyl-7-(2-methoxyethoxy)quinolin-6-amine

4-(5-aminothiophen-2-yl)sulfanyl-7-(2-methoxyethoxy)quinolin-6-amine (PubChem CID 89363496) has the molecular formula C16H17N3O2S2 and a molecular weight of 347.47 g/mol. Its IUPAC name is 4-(5-aminothiophen-2-yl)sulfanyl-7-(2-methoxyethoxy)quinolin-6-amine.

Molecular Properties

Compound Name4-(5-aminothiophen-2-yl)sulfanyl-7-(2-methoxyethoxy)quinolin-6-amine
PubChem CID89363496
Molecular FormulaC16H17N3O2S2
Molecular Weight347.47 g/mol
Exact Mass347.08
IUPAC Name4-(5-aminothiophen-2-yl)sulfanyl-7-(2-methoxyethoxy)quinolin-6-amine
SMILESCOCCOc1cc2nccc(Sc3ccc(N)s3)c2cc1N
InChIInChI=1S/C16H17N3O2S2/c1-20-6-7-21-13-9-12-10(8-11(13)17)14(4-5-19-12)22-16-3-2-15(18)23-16/h2-5,8-9H,6-7,17-18H2,1H3
InChIKeyCKPTVMCEGWQLJD-UHFFFAOYSA-N
XLogP3.64
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-aminothiophen-2-yl)sulfanyl-7-(2-methoxyethoxy)quinolin-6-amine?
The IUPAC name of 4-(5-aminothiophen-2-yl)sulfanyl-7-(2-methoxyethoxy)quinolin-6-amine (CID 89363496) is 4-(5-aminothiophen-2-yl)sulfanyl-7-(2-methoxyethoxy)quinolin-6-amine.
What is the SMILES notation for 4-(5-aminothiophen-2-yl)sulfanyl-7-(2-methoxyethoxy)quinolin-6-amine?
The canonical SMILES for 4-(5-aminothiophen-2-yl)sulfanyl-7-(2-methoxyethoxy)quinolin-6-amine is COCCOc1cc2nccc(Sc3ccc(N)s3)c2cc1N.
What is the InChIKey of 4-(5-aminothiophen-2-yl)sulfanyl-7-(2-methoxyethoxy)quinolin-6-amine?
The InChIKey is CKPTVMCEGWQLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S2/c1-20-6-7-21-13-9-12-10(8-11(13)17)14(4-5-19-12)22-16-3-2-15(18)23-16/h2-5,8-9H,6-7,17-18H2,1H3.
What are the key properties of 4-(5-aminothiophen-2-yl)sulfanyl-7-(2-methoxyethoxy)quinolin-6-amine?
4-(5-aminothiophen-2-yl)sulfanyl-7-(2-methoxyethoxy)quinolin-6-amine has a molecular weight of 347.47 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-aminothiophen-2-yl)sulfanyl-7-(2-methoxyethoxy)quinolin-6-amine is sourced from PubChem (CID 89363496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).