ethane;N-methylhydroxylamine;6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbaldehyde

C18H28N2O2S — CID 143292828

IUPACethane;N-methylhydroxylamine;6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbaldehyde
SMILESCC.CC(C)C1CCc2nc3sc(C=O)cc3cc2C1.CNO
InChIInChI=1S/C15H17NOS.C2H6.CH5NO/c1-9(2)10-3-4-14-11(5-10)6-12-7-13(8-17)18-15(12)16-14;1-2;1-2-3/h6-10H,3-5H2,1-2H3;1-2H3;2-3H,1H3
InChIKeyNFWLSJSFEAJLRL-UHFFFAOYSA-N
MW336.50 g/mol
LogP4.49
Rot. Bonds2

About ethane;N-methylhydroxylamine;6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbaldehyde

ethane;N-methylhydroxylamine;6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbaldehyde (PubChem CID 143292828) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is ethane;N-methylhydroxylamine;6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbaldehyde.

Molecular Properties

Compound Nameethane;N-methylhydroxylamine;6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbaldehyde
PubChem CID143292828
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC Nameethane;N-methylhydroxylamine;6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbaldehyde
SMILESCC.CC(C)C1CCc2nc3sc(C=O)cc3cc2C1.CNO
InChIInChI=1S/C15H17NOS.C2H6.CH5NO/c1-9(2)10-3-4-14-11(5-10)6-12-7-13(8-17)18-15(12)16-14;1-2;1-2-3/h6-10H,3-5H2,1-2H3;1-2H3;2-3H,1H3
InChIKeyNFWLSJSFEAJLRL-UHFFFAOYSA-N
XLogP4.49
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methylhydroxylamine;6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbaldehyde?
The IUPAC name of ethane;N-methylhydroxylamine;6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbaldehyde (CID 143292828) is ethane;N-methylhydroxylamine;6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbaldehyde.
What is the SMILES notation for ethane;N-methylhydroxylamine;6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbaldehyde?
The canonical SMILES for ethane;N-methylhydroxylamine;6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbaldehyde is CC.CC(C)C1CCc2nc3sc(C=O)cc3cc2C1.CNO.
What is the InChIKey of ethane;N-methylhydroxylamine;6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbaldehyde?
The InChIKey is NFWLSJSFEAJLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS.C2H6.CH5NO/c1-9(2)10-3-4-14-11(5-10)6-12-7-13(8-17)18-15(12)16-14;1-2;1-2-3/h6-10H,3-5H2,1-2H3;1-2H3;2-3H,1H3.
What are the key properties of ethane;N-methylhydroxylamine;6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbaldehyde?
ethane;N-methylhydroxylamine;6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbaldehyde has a molecular weight of 336.50 g/mol, XLogP of 4.49, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methylhydroxylamine;6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbaldehyde is sourced from PubChem (CID 143292828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).