5-[3-(3-aminophenoxy)propyl]thieno[3,2-c]pyridin-4-one

C16H16N2O2S — CID 115911999

IUPAC5-[3-(3-aminophenoxy)propyl]thieno[3,2-c]pyridin-4-one
SMILESNc1cccc(OCCCn2ccc3sccc3c2=O)c1
InChIInChI=1S/C16H16N2O2S/c17-12-3-1-4-13(11-12)20-9-2-7-18-8-5-15-14(16(18)19)6-10-21-15/h1,3-6,8,10-11H,2,7,9,17H2
InChIKeyNNXMHXBECRMKSN-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.11
Rot. Bonds5

About 5-[3-(3-aminophenoxy)propyl]thieno[3,2-c]pyridin-4-one

5-[3-(3-aminophenoxy)propyl]thieno[3,2-c]pyridin-4-one (PubChem CID 115911999) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 5-[3-(3-aminophenoxy)propyl]thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-[3-(3-aminophenoxy)propyl]thieno[3,2-c]pyridin-4-one
PubChem CID115911999
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name5-[3-(3-aminophenoxy)propyl]thieno[3,2-c]pyridin-4-one
SMILESNc1cccc(OCCCn2ccc3sccc3c2=O)c1
InChIInChI=1S/C16H16N2O2S/c17-12-3-1-4-13(11-12)20-9-2-7-18-8-5-15-14(16(18)19)6-10-21-15/h1,3-6,8,10-11H,2,7,9,17H2
InChIKeyNNXMHXBECRMKSN-UHFFFAOYSA-N
XLogP3.11
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(3-aminophenoxy)propyl]-3-bromopyridin-2-one
CID 82147667
1-[3-(3-aminophenoxy)propyl]-3-methylimidazol-2-one
CID 80579175
1-[3-(3-aminophenoxy)propyl]-3-(3-hydroxypropoxy)pyridin-2-one
CID 94758704
5-[2-(2-aminoethoxy)ethyl]thieno[3,2-c]pyridin-4-one
CID 103482414
5-(5-hydroxypentyl)thieno[3,2-c]pyridin-4-one
CID 112557081
5-(9-sulfanylnonyl)thieno[3,2-c]pyridin-4-one
CID 105344666
3-[3-(4-bromoindol-1-yl)propoxy]aniline
CID 115351430
4-(4-oxothieno[3,2-c]pyridin-5-yl)butanoic acid
CID 112556973
N-(3-aminophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 115912011
1-[3-(3-aminophenoxy)propyl]-5-chloropyridin-2-one
CID 82151863
5-[2-hydroxy-3-(3-methylphenoxy)propyl]thieno[3,2-c]pyridin-4-one
CID 110017813
3-(4-oxothieno[3,2-c]pyridin-5-yl)propanoic acid
CID 112556961

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-aminophenoxy)propyl]thieno[3,2-c]pyridin-4-one?
The IUPAC name of 5-[3-(3-aminophenoxy)propyl]thieno[3,2-c]pyridin-4-one (CID 115911999) is 5-[3-(3-aminophenoxy)propyl]thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-[3-(3-aminophenoxy)propyl]thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 5-[3-(3-aminophenoxy)propyl]thieno[3,2-c]pyridin-4-one is Nc1cccc(OCCCn2ccc3sccc3c2=O)c1.
What is the InChIKey of 5-[3-(3-aminophenoxy)propyl]thieno[3,2-c]pyridin-4-one?
The InChIKey is NNXMHXBECRMKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c17-12-3-1-4-13(11-12)20-9-2-7-18-8-5-15-14(16(18)19)6-10-21-15/h1,3-6,8,10-11H,2,7,9,17H2.
What are the key properties of 5-[3-(3-aminophenoxy)propyl]thieno[3,2-c]pyridin-4-one?
5-[3-(3-aminophenoxy)propyl]thieno[3,2-c]pyridin-4-one has a molecular weight of 300.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-aminophenoxy)propyl]thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 115911999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).