(4S)-4-phenyl-5-quinolin-8-yl-4H-thieno[2,3-c]pyrrol-6-one

C21H14N2OS — CID 139095203

IUPAC(4S)-4-phenyl-5-quinolin-8-yl-4H-thieno[2,3-c]pyrrol-6-one
SMILESO=C1c2sccc2[C@H](c2ccccc2)N1c1cccc2cccnc12
InChIInChI=1S/C21H14N2OS/c24-21-20-16(11-13-25-20)19(15-6-2-1-3-7-15)23(21)17-10-4-8-14-9-5-12-22-18(14)17/h1-13,19H/t19-/m0/s1
InChIKeyJKGBKTJUIKKGQI-IBGZPJMESA-N
MW342.42 g/mol
LogP5.05
Rot. Bonds2

About (4S)-4-phenyl-5-quinolin-8-yl-4H-thieno[2,3-c]pyrrol-6-one

(4S)-4-phenyl-5-quinolin-8-yl-4H-thieno[2,3-c]pyrrol-6-one (PubChem CID 139095203) has the molecular formula C21H14N2OS and a molecular weight of 342.42 g/mol. Its IUPAC name is (4S)-4-phenyl-5-quinolin-8-yl-4H-thieno[2,3-c]pyrrol-6-one.

Molecular Properties

Compound Name(4S)-4-phenyl-5-quinolin-8-yl-4H-thieno[2,3-c]pyrrol-6-one
PubChem CID139095203
Molecular FormulaC21H14N2OS
Molecular Weight342.42 g/mol
Exact Mass342.08
IUPAC Name(4S)-4-phenyl-5-quinolin-8-yl-4H-thieno[2,3-c]pyrrol-6-one
SMILESO=C1c2sccc2[C@H](c2ccccc2)N1c1cccc2cccnc12
InChIInChI=1S/C21H14N2OS/c24-21-20-16(11-13-25-20)19(15-6-2-1-3-7-15)23(21)17-10-4-8-14-9-5-12-22-18(14)17/h1-13,19H/t19-/m0/s1
InChIKeyJKGBKTJUIKKGQI-IBGZPJMESA-N
XLogP5.05
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.42
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S)-4-phenyl-5-quinolin-8-yl-4H-thieno[2,3-c]pyrrol-6-one with MolForge

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Related Compounds

(4E)-4-benzylidene-3-phenyl-2-quinolin-8-yl-3H-isoquinolin-1-one
CID 132548090
4-quinolin-8-yl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]isoquinolin-5-one
CID 134847462
4-(3-fluorophenyl)-1-quinolin-8-ylazetidin-2-one
CID 73426556
3,4-dimethyl-5-methylidene-1-quinolin-8-ylpyrrol-2-one
CID 141397224
(1S,6R)-1-methyl-7-quinolin-8-yl-7-azabicyclo[4.2.0]octan-8-one
CID 73426764
(2,4-diphenyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazin-3-yl)-phenylmethanone
CID 3723566
5,6-dichloro-2-quinolin-8-ylisoindole-1,3-dione
CID 2168091
3-quinolin-8-ylimidazolidine-2,4-dione
CID 106702916
(5Z)-5-(furan-2-ylmethylidene)-1-quinolin-8-yl-1,3-diazinane-2,4,6-trione
CID 59072167
4-[2-(2-bromophenyl)ethyl]-1-quinolin-8-ylazetidin-2-one
CID 146659598
4-chloro-1-quinolin-8-ylpyrrolidin-2-one
CID 168689599
8-(4-methylpiperazin-1-yl)quinoline
CID 20701166

Frequently Asked Questions

What is the IUPAC name of (4S)-4-phenyl-5-quinolin-8-yl-4H-thieno[2,3-c]pyrrol-6-one?
The IUPAC name of (4S)-4-phenyl-5-quinolin-8-yl-4H-thieno[2,3-c]pyrrol-6-one (CID 139095203) is (4S)-4-phenyl-5-quinolin-8-yl-4H-thieno[2,3-c]pyrrol-6-one.
What is the SMILES notation for (4S)-4-phenyl-5-quinolin-8-yl-4H-thieno[2,3-c]pyrrol-6-one?
The canonical SMILES for (4S)-4-phenyl-5-quinolin-8-yl-4H-thieno[2,3-c]pyrrol-6-one is O=C1c2sccc2[C@H](c2ccccc2)N1c1cccc2cccnc12.
What is the InChIKey of (4S)-4-phenyl-5-quinolin-8-yl-4H-thieno[2,3-c]pyrrol-6-one?
The InChIKey is JKGBKTJUIKKGQI-IBGZPJMESA-N. The full InChI is InChI=1S/C21H14N2OS/c24-21-20-16(11-13-25-20)19(15-6-2-1-3-7-15)23(21)17-10-4-8-14-9-5-12-22-18(14)17/h1-13,19H/t19-/m0/s1.
What are the key properties of (4S)-4-phenyl-5-quinolin-8-yl-4H-thieno[2,3-c]pyrrol-6-one?
(4S)-4-phenyl-5-quinolin-8-yl-4H-thieno[2,3-c]pyrrol-6-one has a molecular weight of 342.42 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-phenyl-5-quinolin-8-yl-4H-thieno[2,3-c]pyrrol-6-one is sourced from PubChem (CID 139095203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).