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

C21H20N2O2S — CID 67447581

IUPAC8-hydroxy-9-[4-[(propan-2-ylamino)methyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one
SMILESCC(C)NCc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1
InChIInChI=1S/C21H20N2O2S/c1-12(2)22-11-13-3-5-14(6-4-13)18-17(24)8-7-16-19(18)15-9-10-26-20(15)21(25)23-16/h3-10,12,22,24H,11H2,1-2H3,(H,23,25)
InChIKeyBCLRKKDBVFJBNT-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.61
Rot. Bonds4

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

8-hydroxy-9-[4-[(propan-2-ylamino)methyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 67447581) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is 8-hydroxy-9-[4-[(propan-2-ylamino)methyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name8-hydroxy-9-[4-[(propan-2-ylamino)methyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one
PubChem CID67447581
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name8-hydroxy-9-[4-[(propan-2-ylamino)methyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one
SMILESCC(C)NCc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1
InChIInChI=1S/C21H20N2O2S/c1-12(2)22-11-13-3-5-14(6-4-13)18-17(24)8-7-16-19(18)15-9-10-26-20(15)21(25)23-16/h3-10,12,22,24H,11H2,1-2H3,(H,23,25)
InChIKeyBCLRKKDBVFJBNT-UHFFFAOYSA-N
XLogP4.61
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.61
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
(r)-9-(4-(1-(Dimethylamino)propan-2-yl)phenyl)-8-(2-fluoroethoxy)-6-methylthieno[2,3-c]quinolin-4(5h)-one
CID 134821510
9-[4-(aminomethyl)phenyl]-8-hydroxythieno[2,3-c]quinolin-4(5H)-one
CID 53386374
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

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-9-[4-[(propan-2-ylamino)methyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 8-hydroxy-9-[4-[(propan-2-ylamino)methyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one (CID 67447581) is 8-hydroxy-9-[4-[(propan-2-ylamino)methyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 8-hydroxy-9-[4-[(propan-2-ylamino)methyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 8-hydroxy-9-[4-[(propan-2-ylamino)methyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one is CC(C)NCc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1.
What is the InChIKey of 8-hydroxy-9-[4-[(propan-2-ylamino)methyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is BCLRKKDBVFJBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-12(2)22-11-13-3-5-14(6-4-13)18-17(24)8-7-16-19(18)15-9-10-26-20(15)21(25)23-16/h3-10,12,22,24H,11H2,1-2H3,(H,23,25).
What are the key properties of 8-hydroxy-9-[4-[(propan-2-ylamino)methyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one?
8-hydroxy-9-[4-[(propan-2-ylamino)methyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 364.47 g/mol, XLogP of 4.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-9-[4-[(propan-2-ylamino)methyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 67447581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).