9-(2-amino-2,3-dihydro-1H-inden-5-yl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride

C21H19ClN2O2S — CID 118194228

IUPAC9-(2-amino-2,3-dihydro-1H-inden-5-yl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
SMILESCOc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc2c(c1)CC(N)C2.Cl
InChIInChI=1S/C21H18N2O2S.ClH/c1-25-17-5-4-16-19(15-6-7-26-20(15)21(24)23-16)18(17)12-3-2-11-9-14(22)10-13(11)8-12;/h2-8,14H,9-10,22H2,1H3,(H,23,24);1H
InChIKeyDTXOLOWIGNJIBA-UHFFFAOYSA-N
MW398.92 g/mol
LogP4.27
Rot. Bonds2

About 9-(2-amino-2,3-dihydro-1H-inden-5-yl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride

9-(2-amino-2,3-dihydro-1H-inden-5-yl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride (PubChem CID 118194228) has the molecular formula C21H19ClN2O2S and a molecular weight of 398.92 g/mol. Its IUPAC name is 9-(2-amino-2,3-dihydro-1H-inden-5-yl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride.

Molecular Properties

Compound Name9-(2-amino-2,3-dihydro-1H-inden-5-yl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
PubChem CID118194228
Molecular FormulaC21H19ClN2O2S
Molecular Weight398.92 g/mol
Exact Mass398.09
IUPAC Name9-(2-amino-2,3-dihydro-1H-inden-5-yl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
SMILESCOc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc2c(c1)CC(N)C2.Cl
InChIInChI=1S/C21H18N2O2S.ClH/c1-25-17-5-4-16-19(15-6-7-26-20(15)21(24)23-16)18(17)12-3-2-11-9-14(22)10-13(11)8-12;/h2-8,14H,9-10,22H2,1H3,(H,23,24);1H
InChIKeyDTXOLOWIGNJIBA-UHFFFAOYSA-N
XLogP4.27
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.92
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(2-amino-2,3-dihydro-1H-inden-5-yl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride?
The IUPAC name of 9-(2-amino-2,3-dihydro-1H-inden-5-yl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride (CID 118194228) is 9-(2-amino-2,3-dihydro-1H-inden-5-yl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride.
What is the SMILES notation for 9-(2-amino-2,3-dihydro-1H-inden-5-yl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride?
The canonical SMILES for 9-(2-amino-2,3-dihydro-1H-inden-5-yl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride is COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc2c(c1)CC(N)C2.Cl.
What is the InChIKey of 9-(2-amino-2,3-dihydro-1H-inden-5-yl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride?
The InChIKey is DTXOLOWIGNJIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S.ClH/c1-25-17-5-4-16-19(15-6-7-26-20(15)21(24)23-16)18(17)12-3-2-11-9-14(22)10-13(11)8-12;/h2-8,14H,9-10,22H2,1H3,(H,23,24);1H.
What are the key properties of 9-(2-amino-2,3-dihydro-1H-inden-5-yl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride?
9-(2-amino-2,3-dihydro-1H-inden-5-yl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride has a molecular weight of 398.92 g/mol, XLogP of 4.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-amino-2,3-dihydro-1H-inden-5-yl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride is sourced from PubChem (CID 118194228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).