8-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-hydroxyphenyl)-5H-thieno[2,3-c]quinolin-4-one

C21H19N3O2S — CID 53472573

IUPAC8-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-hydroxyphenyl)-5H-thieno[2,3-c]quinolin-4-one
SMILESN[C@H]1CCN(c2ccc3[nH]c(=O)c4sc(-c5ccc(O)cc5)cc4c3c2)C1
InChIInChI=1S/C21H19N3O2S/c22-13-7-8-24(11-13)14-3-6-18-16(9-14)17-10-19(27-20(17)21(26)23-18)12-1-4-15(25)5-2-12/h1-6,9-10,13,25H,7-8,11,22H2,(H,23,26)/t13-/m0/s1
InChIKeyMMYHBULUVREXPP-ZDUSSCGKSA-N
MW377.47 g/mol
LogP3.65
Rot. Bonds2

About 8-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-hydroxyphenyl)-5H-thieno[2,3-c]quinolin-4-one

8-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-hydroxyphenyl)-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 53472573) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is 8-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-hydroxyphenyl)-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name8-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-hydroxyphenyl)-5H-thieno[2,3-c]quinolin-4-one
PubChem CID53472573
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC Name8-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-hydroxyphenyl)-5H-thieno[2,3-c]quinolin-4-one
SMILESN[C@H]1CCN(c2ccc3[nH]c(=O)c4sc(-c5ccc(O)cc5)cc4c3c2)C1
InChIInChI=1S/C21H19N3O2S/c22-13-7-8-24(11-13)14-3-6-18-16(9-14)17-10-19(27-20(17)21(26)23-18)12-1-4-15(25)5-2-12/h1-6,9-10,13,25H,7-8,11,22H2,(H,23,26)/t13-/m0/s1
InChIKeyMMYHBULUVREXPP-ZDUSSCGKSA-N
XLogP3.65
TPSA82.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 8-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-hydroxyphenyl)-5H-thieno[2,3-c]quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[4-(aminomethyl)phenyl]-8-hydroxythieno[2,3-c]quinolin-4(5H)-one
CID 53386374
8-Hydroxy-9-(1,2,3,6-tetrahydropyridin-4-yl)thieno[2,3-c]quinolin-4(5H)-one
CID 53472762
9-{4-[2-(Dimethylamino)ethyl]phenyl}-8-hydroxythieno[2,3-c]quinolin-4(5H)-one
CID 53472806
9-[4-(Aminomethyl)phenyl]-8-hydroxy-2-methylthieno[2,3-c]quinolin-4(5H)-one
CID 53472808
9-[4-[1-(dimethylamino)propan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 67446628
9-[4-(1-aminoethyl)phenyl]-8-hydroxythieno[2,3-c]quinolin-4(5H)-one
CID 67447133
9-[4-(2-Aminoethyl)phenyl]-8-hydroxythieno[2,3-c]quinolin-4(5H)-one
CID 67447134
9-[4-[1-(diethylamino)ethyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 67447395
8-hydroxy-9-[4-[(propan-2-ylamino)methyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one
CID 67447581
9-[4-[1-(dimethylamino)propyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 67447588
8-hydroxy-9-[4-(1-pyrrolidin-1-ylethyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one
CID 67447601
9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 67447686

Frequently Asked Questions

What is the IUPAC name of 8-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-hydroxyphenyl)-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 8-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-hydroxyphenyl)-5H-thieno[2,3-c]quinolin-4-one (CID 53472573) is 8-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-hydroxyphenyl)-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 8-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-hydroxyphenyl)-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 8-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-hydroxyphenyl)-5H-thieno[2,3-c]quinolin-4-one is N[C@H]1CCN(c2ccc3[nH]c(=O)c4sc(-c5ccc(O)cc5)cc4c3c2)C1.
What is the InChIKey of 8-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-hydroxyphenyl)-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is MMYHBULUVREXPP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H19N3O2S/c22-13-7-8-24(11-13)14-3-6-18-16(9-14)17-10-19(27-20(17)21(26)23-18)12-1-4-15(25)5-2-12/h1-6,9-10,13,25H,7-8,11,22H2,(H,23,26)/t13-/m0/s1.
What are the key properties of 8-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-hydroxyphenyl)-5H-thieno[2,3-c]quinolin-4-one?
8-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-hydroxyphenyl)-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 377.47 g/mol, XLogP of 3.65, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-hydroxyphenyl)-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 53472573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).