9-[4-(2-aminopropyl)phenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride

C20H18Cl2N2O2S — CID 86689535

IUPAC9-[4-(2-aminopropyl)phenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
SMILESCC(N)Cc1ccc(-c2c(O)cc(Cl)c3[nH]c(=O)c4sccc4c23)cc1.Cl
InChIInChI=1S/C20H17ClN2O2S.ClH/c1-10(22)8-11-2-4-12(5-3-11)16-15(24)9-14(21)18-17(16)13-6-7-26-19(13)20(25)23-18;/h2-7,9-10,24H,8,22H2,1H3,(H,23,25);1H
InChIKeyUNUWVZFEEUCELE-UHFFFAOYSA-N
MW421.35 g/mol
LogP5.08
Rot. Bonds3

About 9-[4-(2-aminopropyl)phenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride

9-[4-(2-aminopropyl)phenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride (PubChem CID 86689535) has the molecular formula C20H18Cl2N2O2S and a molecular weight of 421.35 g/mol. Its IUPAC name is 9-[4-(2-aminopropyl)phenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride.

Molecular Properties

Compound Name9-[4-(2-aminopropyl)phenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
PubChem CID86689535
Molecular FormulaC20H18Cl2N2O2S
Molecular Weight421.35 g/mol
Exact Mass420.05
IUPAC Name9-[4-(2-aminopropyl)phenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
SMILESCC(N)Cc1ccc(-c2c(O)cc(Cl)c3[nH]c(=O)c4sccc4c23)cc1.Cl
InChIInChI=1S/C20H17ClN2O2S.ClH/c1-10(22)8-11-2-4-12(5-3-11)16-15(24)9-14(21)18-17(16)13-6-7-26-19(13)20(25)23-18;/h2-7,9-10,24H,8,22H2,1H3,(H,23,25);1H
InChIKeyUNUWVZFEEUCELE-UHFFFAOYSA-N
XLogP5.08
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.35
LogP ≤ 55.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 9-[4-(2-aminopropyl)phenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride with MolForge

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Related Compounds

9-[4-(1-aminoethyl)phenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
CID 86689478
9-[4-(2-aminopropan-2-yl)phenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
CID 86689544
6-chloro-9-[4-[1-(diethylamino)propan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 67450201
9-[4-[(2S)-2-aminopropyl]phenyl]-6-ethyl-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 163858078
9-[4-(2-aminopropyl)phenyl]-6-ethyl-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 67448833
9-[4-[(1R)-1-aminoethyl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
CID 118234948
9-[4-(aminomethyl)phenyl]-6-bromo-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 67447606
9-[4-(aminomethyl)phenyl]-8-hydroxy-6-iodo-5H-thieno[2,3-c]quinolin-4-one
CID 118242456
9-[4-(1-aminoethyl)phenyl]-8-hydroxy-6-(hydroxymethyl)-5H-thieno[2,3-c]quinolin-4-one
CID 67448029
9-[4-(2-aminoethyl)-3-fluorophenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 67449966
9-[4-(1-aminoethyl)phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 67446610
9-[4-[(1R)-1-aminopropyl]phenyl]-6-bromo-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 67450966

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2-aminopropyl)phenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride?
The IUPAC name of 9-[4-(2-aminopropyl)phenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride (CID 86689535) is 9-[4-(2-aminopropyl)phenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride.
What is the SMILES notation for 9-[4-(2-aminopropyl)phenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride?
The canonical SMILES for 9-[4-(2-aminopropyl)phenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride is CC(N)Cc1ccc(-c2c(O)cc(Cl)c3[nH]c(=O)c4sccc4c23)cc1.Cl.
What is the InChIKey of 9-[4-(2-aminopropyl)phenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride?
The InChIKey is UNUWVZFEEUCELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2S.ClH/c1-10(22)8-11-2-4-12(5-3-11)16-15(24)9-14(21)18-17(16)13-6-7-26-19(13)20(25)23-18;/h2-7,9-10,24H,8,22H2,1H3,(H,23,25);1H.
What are the key properties of 9-[4-(2-aminopropyl)phenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride?
9-[4-(2-aminopropyl)phenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride has a molecular weight of 421.35 g/mol, XLogP of 5.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2-aminopropyl)phenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride is sourced from PubChem (CID 86689535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).