9-[4-(aminomethyl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one

C18H14N2O2S — CID 53386374

IUPAC9-[4-(aminomethyl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
SMILESNCc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1
InChIInChI=1S/C18H14N2O2S/c19-9-10-1-3-11(4-2-10)15-14(21)6-5-13-16(15)12-7-8-23-17(12)18(22)20-13/h1-8,21H,9,19H2,(H,20,22)
InChIKeyPRLYORQJMCNPDP-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.57
Rot. Bonds2

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

9-[4-(aminomethyl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 53386374) has the molecular formula C18H14N2O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is 9-[4-(aminomethyl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name9-[4-(aminomethyl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
PubChem CID53386374
Molecular FormulaC18H14N2O2S
Molecular Weight322.39 g/mol
Exact Mass322.08
IUPAC Name9-[4-(aminomethyl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
SMILESNCc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1
InChIInChI=1S/C18H14N2O2S/c19-9-10-1-3-11(4-2-10)15-14(21)6-5-13-16(15)12-7-8-23-17(12)18(22)20-13/h1-8,21H,9,19H2,(H,20,22)
InChIKeyPRLYORQJMCNPDP-UHFFFAOYSA-N
XLogP3.57
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Ots964
CID 67448186
(R)-9-(4-(1-aminopropan-2-yl)phenyl)-8-hydroxy-6-methylthieno[2,3-c]quinolin-4(5H)-one
CID 67448836
(R)-9-(4-(1-Aminoethyl)phenyl)-8-hydroxy-6-methylthieno[2,3-c]quinolin-4(5H)-one
CID 68229183
OTS514 hydrochloride
CID 92044487
N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155550445
OTS964 hydrochloride
CID 89675898
10-hydroxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one
CID 118717513
9-(3,4-difluorophenyl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 53472537
Thieno[2,3-c]quinolin-4(5H)-one, 8-[(3S)-3-amino-1-pyrrolidinyl]-2-(4-hydroxyphenyl)-
CID 53472573
9-(3-fluoro-4-hydroxyphenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 53472576
9-(3,4-difluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 53472579
9-(4-fluoro-3-hydroxyphenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 53472619

Frequently Asked Questions

What is the IUPAC name of 9-[4-(aminomethyl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 9-[4-(aminomethyl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one (CID 53386374) is 9-[4-(aminomethyl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 9-[4-(aminomethyl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 9-[4-(aminomethyl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one is NCc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1.
What is the InChIKey of 9-[4-(aminomethyl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is PRLYORQJMCNPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2S/c19-9-10-1-3-11(4-2-10)15-14(21)6-5-13-16(15)12-7-8-23-17(12)18(22)20-13/h1-8,21H,9,19H2,(H,20,22).
What are the key properties of 9-[4-(aminomethyl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
9-[4-(aminomethyl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 322.39 g/mol, XLogP of 3.57, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(aminomethyl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 53386374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).