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

C19H16N2O2S — CID 53472808

IUPAC9-[4-(aminomethyl)phenyl]-8-hydroxy-2-methyl-5H-thieno[2,3-c]quinolin-4-one
SMILESCc1cc2c(s1)c(=O)[nH]c1ccc(O)c(-c3ccc(CN)cc3)c12
InChIInChI=1S/C19H16N2O2S/c1-10-8-13-17-14(21-19(23)18(13)24-10)6-7-15(22)16(17)12-4-2-11(9-20)3-5-12/h2-8,22H,9,20H2,1H3,(H,21,23)
InChIKeyYLOILQKJJQZBAK-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.88
Rot. Bonds2

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

9-[4-(aminomethyl)phenyl]-8-hydroxy-2-methyl-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 53472808) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is 9-[4-(aminomethyl)phenyl]-8-hydroxy-2-methyl-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name9-[4-(aminomethyl)phenyl]-8-hydroxy-2-methyl-5H-thieno[2,3-c]quinolin-4-one
PubChem CID53472808
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Name9-[4-(aminomethyl)phenyl]-8-hydroxy-2-methyl-5H-thieno[2,3-c]quinolin-4-one
SMILESCc1cc2c(s1)c(=O)[nH]c1ccc(O)c(-c3ccc(CN)cc3)c12
InChIInChI=1S/C19H16N2O2S/c1-10-8-13-17-14(21-19(23)18(13)24-10)6-7-15(22)16(17)12-4-2-11(9-20)3-5-12/h2-8,22H,9,20H2,1H3,(H,21,23)
InChIKeyYLOILQKJJQZBAK-UHFFFAOYSA-N
XLogP3.88
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.88
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
2-((dimethylamino)methyl)-9-hydroxythieno(2,3-c)isoquinolin-5(4H)-one
CID 44537943
1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-2-hydroxy-4,7-dimethyl-5H-phenanthridin-6-one
CID 155526766
1-[4-[(1R)-1-aminoethyl]phenyl]-2-hydroxy-4,7-dimethyl-5H-phenanthridin-6-one
CID 155547851
9-[4-[1-(dimethylamino)propan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 67446628
OTS964 hydrochloride
CID 89675898
10-hydroxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one
CID 118717513
4-(3-hydroxyphenyl)-3-methyl-6-oxo-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[2,3-b]pyridine-2-carboxamide
CID 24206402
9-[4-(aminomethyl)phenyl]-8-hydroxythieno[2,3-c]quinolin-4(5H)-one
CID 53386374

Frequently Asked Questions

What is the IUPAC name of 9-[4-(aminomethyl)phenyl]-8-hydroxy-2-methyl-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 9-[4-(aminomethyl)phenyl]-8-hydroxy-2-methyl-5H-thieno[2,3-c]quinolin-4-one (CID 53472808) is 9-[4-(aminomethyl)phenyl]-8-hydroxy-2-methyl-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 9-[4-(aminomethyl)phenyl]-8-hydroxy-2-methyl-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 9-[4-(aminomethyl)phenyl]-8-hydroxy-2-methyl-5H-thieno[2,3-c]quinolin-4-one is Cc1cc2c(s1)c(=O)[nH]c1ccc(O)c(-c3ccc(CN)cc3)c12.
What is the InChIKey of 9-[4-(aminomethyl)phenyl]-8-hydroxy-2-methyl-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is YLOILQKJJQZBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c1-10-8-13-17-14(21-19(23)18(13)24-10)6-7-15(22)16(17)12-4-2-11(9-20)3-5-12/h2-8,22H,9,20H2,1H3,(H,21,23).
What are the key properties of 9-[4-(aminomethyl)phenyl]-8-hydroxy-2-methyl-5H-thieno[2,3-c]quinolin-4-one?
9-[4-(aminomethyl)phenyl]-8-hydroxy-2-methyl-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 336.42 g/mol, XLogP of 3.88, 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-2-methyl-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 53472808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).