9-[4-[(2R)-1-aminopropan-2-yl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one

C21H20N2O2S — CID 67448836

IUPAC9-[4-[(2R)-1-aminopropan-2-yl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
SMILESCc1cc(O)c(-c2ccc([C@@H](C)CN)cc2)c2c1[nH]c(=O)c1sccc12
InChIInChI=1S/C21H20N2O2S/c1-11-9-16(24)17(14-5-3-13(4-6-14)12(2)10-22)18-15-7-8-26-20(15)21(25)23-19(11)18/h3-9,12,24H,10,22H2,1-2H3,(H,23,25)/t12-/m0/s1
InChIKeyOETLNMOJNONWOY-LBPRGKRZSA-N
MW364.47 g/mol
LogP4.49
Rot. Bonds3

About 9-[4-[(2R)-1-aminopropan-2-yl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one

9-[4-[(2R)-1-aminopropan-2-yl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 67448836) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is 9-[4-[(2R)-1-aminopropan-2-yl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name9-[4-[(2R)-1-aminopropan-2-yl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
PubChem CID67448836
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name9-[4-[(2R)-1-aminopropan-2-yl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
SMILESCc1cc(O)c(-c2ccc([C@@H](C)CN)cc2)c2c1[nH]c(=O)c1sccc12
InChIInChI=1S/C21H20N2O2S/c1-11-9-16(24)17(14-5-3-13(4-6-14)12(2)10-22)18-15-7-8-26-20(15)21(25)23-19(11)18/h3-9,12,24H,10,22H2,1-2H3,(H,23,25)/t12-/m0/s1
InChIKeyOETLNMOJNONWOY-LBPRGKRZSA-N
XLogP4.49
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 9-[4-[(2R)-1-aminopropan-2-yl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one with MolForge

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Related Compounds

Ots964
CID 67448186
Sklb-C05
CID 137796972
(R)-9-(4-(1-Aminoethyl)phenyl)-8-hydroxy-6-methylthieno[2,3-c]quinolin-4(5H)-one
CID 68229183
OTS514 hydrochloride
CID 92044487
1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-2-hydroxy-4,9-dimethyl-5H-phenanthridin-6-one
CID 155523141
1-[4-[(1R)-1-aminoethyl]phenyl]-2-hydroxy-4,9-dimethyl-5H-phenanthridin-6-one
CID 155523265
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-4,8-dimethyl-5H-phenanthridin-6-one
CID 155532304
(R)-1-(4-(1-Aminoethyl)phenyl)-2-hydroxy-4-methylphenanthridin-6(5H)-one
CID 155544622
1-[4-[(1R)-1-aminoethyl]phenyl]-2-hydroxy-4,7-dimethyl-5H-phenanthridin-6-one
CID 155547851
1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-7-fluoro-2-hydroxy-4-methyl-5H-phenanthridin-6-one
CID 155549086
1-[4-[(2R)-1-aminopropan-2-yl]phenyl]-2-hydroxy-4,8-dimethyl-5H-phenanthridin-6-one
CID 155568417

Frequently Asked Questions

What is the IUPAC name of 9-[4-[(2R)-1-aminopropan-2-yl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 9-[4-[(2R)-1-aminopropan-2-yl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one (CID 67448836) is 9-[4-[(2R)-1-aminopropan-2-yl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 9-[4-[(2R)-1-aminopropan-2-yl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 9-[4-[(2R)-1-aminopropan-2-yl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one is Cc1cc(O)c(-c2ccc([C@@H](C)CN)cc2)c2c1[nH]c(=O)c1sccc12.
What is the InChIKey of 9-[4-[(2R)-1-aminopropan-2-yl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is OETLNMOJNONWOY-LBPRGKRZSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-11-9-16(24)17(14-5-3-13(4-6-14)12(2)10-22)18-15-7-8-26-20(15)21(25)23-19(11)18/h3-9,12,24H,10,22H2,1-2H3,(H,23,25)/t12-/m0/s1.
What are the key properties of 9-[4-[(2R)-1-aminopropan-2-yl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one?
9-[4-[(2R)-1-aminopropan-2-yl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 364.47 g/mol, XLogP of 4.49, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[(2R)-1-aminopropan-2-yl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 67448836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).