9-[4-(1-aminoethyl)phenyl]-6-cyclopropyl-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one

C22H20N2O2S — CID 67448684

IUPAC9-[4-(1-aminoethyl)phenyl]-6-cyclopropyl-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
SMILESCC(N)c1ccc(-c2c(O)cc(C3CC3)c3[nH]c(=O)c4sccc4c23)cc1
InChIInChI=1S/C22H20N2O2S/c1-11(23)12-2-6-14(7-3-12)18-17(25)10-16(13-4-5-13)20-19(18)15-8-9-27-21(15)22(26)24-20/h2-3,6-11,13,25H,4-5,23H2,1H3,(H,24,26)
InChIKeyGSFAQSANKDRLPO-UHFFFAOYSA-N
MW376.48 g/mol
LogP5.01
Rot. Bonds3

About 9-[4-(1-aminoethyl)phenyl]-6-cyclopropyl-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one

9-[4-(1-aminoethyl)phenyl]-6-cyclopropyl-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 67448684) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is 9-[4-(1-aminoethyl)phenyl]-6-cyclopropyl-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name9-[4-(1-aminoethyl)phenyl]-6-cyclopropyl-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
PubChem CID67448684
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC Name9-[4-(1-aminoethyl)phenyl]-6-cyclopropyl-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
SMILESCC(N)c1ccc(-c2c(O)cc(C3CC3)c3[nH]c(=O)c4sccc4c23)cc1
InChIInChI=1S/C22H20N2O2S/c1-11(23)12-2-6-14(7-3-12)18-17(25)10-16(13-4-5-13)20-19(18)15-8-9-27-21(15)22(26)24-20/h2-3,6-11,13,25H,4-5,23H2,1H3,(H,24,26)
InChIKeyGSFAQSANKDRLPO-UHFFFAOYSA-N
XLogP5.01
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 55.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-(1-aminoethyl)phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 67446610
9-[4-[(1R)-1-aminoethyl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
CID 118234948
9-[4-(1-aminoethyl)phenyl]-8-hydroxy-6-(hydroxymethyl)-5H-thieno[2,3-c]quinolin-4-one
CID 67448029
9-[4-(1-aminoethyl)phenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
CID 86689478
9-[4-[(1R)-1-aminoethyl]phenyl]-6-bromo-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
CID 118234945
9-[4-(1-aminoethyl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 67447133
9-[4-[(1R)-1-aminopropyl]phenyl]-6-bromo-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 67450966
9-(4-cyclopentylphenyl)-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 149208138
9-[4-(2-aminopropyl)phenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
CID 86689535
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-(aminomethyl)phenyl]-6-bromo-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 67447606

Frequently Asked Questions

What is the IUPAC name of 9-[4-(1-aminoethyl)phenyl]-6-cyclopropyl-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 9-[4-(1-aminoethyl)phenyl]-6-cyclopropyl-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one (CID 67448684) is 9-[4-(1-aminoethyl)phenyl]-6-cyclopropyl-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 9-[4-(1-aminoethyl)phenyl]-6-cyclopropyl-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 9-[4-(1-aminoethyl)phenyl]-6-cyclopropyl-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one is CC(N)c1ccc(-c2c(O)cc(C3CC3)c3[nH]c(=O)c4sccc4c23)cc1.
What is the InChIKey of 9-[4-(1-aminoethyl)phenyl]-6-cyclopropyl-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is GSFAQSANKDRLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2S/c1-11(23)12-2-6-14(7-3-12)18-17(25)10-16(13-4-5-13)20-19(18)15-8-9-27-21(15)22(26)24-20/h2-3,6-11,13,25H,4-5,23H2,1H3,(H,24,26).
What are the key properties of 9-[4-(1-aminoethyl)phenyl]-6-cyclopropyl-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
9-[4-(1-aminoethyl)phenyl]-6-cyclopropyl-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 376.48 g/mol, XLogP of 5.01, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(1-aminoethyl)phenyl]-6-cyclopropyl-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 67448684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).