2-(2-aminoethylsulfanylmethyl)-5-methyl-3,6-dihydro-2H-furo[2,3-f]quinolin-7-one;hydrochloride

C15H19ClN2O2S — CID 23369588

IUPAC2-(2-aminoethylsulfanylmethyl)-5-methyl-3,6-dihydro-2H-furo[2,3-f]quinolin-7-one;hydrochloride
SMILESCc1cc2c(c3ccc(=O)[nH]c13)OC(CSCCN)C2.Cl
InChIInChI=1S/C15H18N2O2S.ClH/c1-9-6-10-7-11(8-20-5-4-16)19-15(10)12-2-3-13(18)17-14(9)12;/h2-3,6,11H,4-5,7-8,16H2,1H3,(H,17,18);1H
InChIKeyRAFPBINMSSIHNL-UHFFFAOYSA-N
MW326.85 g/mol
LogP2.25
Rot. Bonds4

About 2-(2-aminoethylsulfanylmethyl)-5-methyl-3,6-dihydro-2H-furo[2,3-f]quinolin-7-one;hydrochloride

2-(2-aminoethylsulfanylmethyl)-5-methyl-3,6-dihydro-2H-furo[2,3-f]quinolin-7-one;hydrochloride (PubChem CID 23369588) has the molecular formula C15H19ClN2O2S and a molecular weight of 326.85 g/mol. Its IUPAC name is 2-(2-aminoethylsulfanylmethyl)-5-methyl-3,6-dihydro-2H-furo[2,3-f]quinolin-7-one;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethylsulfanylmethyl)-5-methyl-3,6-dihydro-2H-furo[2,3-f]quinolin-7-one;hydrochloride
PubChem CID23369588
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC Name2-(2-aminoethylsulfanylmethyl)-5-methyl-3,6-dihydro-2H-furo[2,3-f]quinolin-7-one;hydrochloride
SMILESCc1cc2c(c3ccc(=O)[nH]c13)OC(CSCCN)C2.Cl
InChIInChI=1S/C15H18N2O2S.ClH/c1-9-6-10-7-11(8-20-5-4-16)19-15(10)12-2-3-13(18)17-14(9)12;/h2-3,6,11H,4-5,7-8,16H2,1H3,(H,17,18);1H
InChIKeyRAFPBINMSSIHNL-UHFFFAOYSA-N
XLogP2.25
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfanylmethyl)-5-methyl-3,6-dihydro-2H-furo[2,3-f]quinolin-7-one;hydrochloride?
The IUPAC name of 2-(2-aminoethylsulfanylmethyl)-5-methyl-3,6-dihydro-2H-furo[2,3-f]quinolin-7-one;hydrochloride (CID 23369588) is 2-(2-aminoethylsulfanylmethyl)-5-methyl-3,6-dihydro-2H-furo[2,3-f]quinolin-7-one;hydrochloride.
What is the SMILES notation for 2-(2-aminoethylsulfanylmethyl)-5-methyl-3,6-dihydro-2H-furo[2,3-f]quinolin-7-one;hydrochloride?
The canonical SMILES for 2-(2-aminoethylsulfanylmethyl)-5-methyl-3,6-dihydro-2H-furo[2,3-f]quinolin-7-one;hydrochloride is Cc1cc2c(c3ccc(=O)[nH]c13)OC(CSCCN)C2.Cl.
What is the InChIKey of 2-(2-aminoethylsulfanylmethyl)-5-methyl-3,6-dihydro-2H-furo[2,3-f]quinolin-7-one;hydrochloride?
The InChIKey is RAFPBINMSSIHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S.ClH/c1-9-6-10-7-11(8-20-5-4-16)19-15(10)12-2-3-13(18)17-14(9)12;/h2-3,6,11H,4-5,7-8,16H2,1H3,(H,17,18);1H.
What are the key properties of 2-(2-aminoethylsulfanylmethyl)-5-methyl-3,6-dihydro-2H-furo[2,3-f]quinolin-7-one;hydrochloride?
2-(2-aminoethylsulfanylmethyl)-5-methyl-3,6-dihydro-2H-furo[2,3-f]quinolin-7-one;hydrochloride has a molecular weight of 326.85 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfanylmethyl)-5-methyl-3,6-dihydro-2H-furo[2,3-f]quinolin-7-one;hydrochloride is sourced from PubChem (CID 23369588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).