[9-[4-(2-aminoethyl)phenyl]-4-oxo-5H-thieno[2,3-c]quinolin-8-yl] morpholine-4-carboxylate

C24H23N3O4S — CID 67449597

IUPAC[9-[4-(2-aminoethyl)phenyl]-4-oxo-5H-thieno[2,3-c]quinolin-8-yl] morpholine-4-carboxylate
SMILESNCCc1ccc(-c2c(OC(=O)N3CCOCC3)ccc3[nH]c(=O)c4sccc4c23)cc1
InChIInChI=1S/C24H23N3O4S/c25-9-7-15-1-3-16(4-2-15)20-19(31-24(29)27-10-12-30-13-11-27)6-5-18-21(20)17-8-14-32-22(17)23(28)26-18/h1-6,8,14H,7,9-13,25H2,(H,26,28)
InChIKeyIBYNAKLOEOOPRS-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.74
Rot. Bonds4

About [9-[4-(2-aminoethyl)phenyl]-4-oxo-5H-thieno[2,3-c]quinolin-8-yl] morpholine-4-carboxylate

[9-[4-(2-aminoethyl)phenyl]-4-oxo-5H-thieno[2,3-c]quinolin-8-yl] morpholine-4-carboxylate (PubChem CID 67449597) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is [9-[4-(2-aminoethyl)phenyl]-4-oxo-5H-thieno[2,3-c]quinolin-8-yl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[9-[4-(2-aminoethyl)phenyl]-4-oxo-5H-thieno[2,3-c]quinolin-8-yl] morpholine-4-carboxylate
PubChem CID67449597
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC Name[9-[4-(2-aminoethyl)phenyl]-4-oxo-5H-thieno[2,3-c]quinolin-8-yl] morpholine-4-carboxylate
SMILESNCCc1ccc(-c2c(OC(=O)N3CCOCC3)ccc3[nH]c(=O)c4sccc4c23)cc1
InChIInChI=1S/C24H23N3O4S/c25-9-7-15-1-3-16(4-2-15)20-19(31-24(29)27-10-12-30-13-11-27)6-5-18-21(20)17-8-14-32-22(17)23(28)26-18/h1-6,8,14H,7,9-13,25H2,(H,26,28)
InChIKeyIBYNAKLOEOOPRS-UHFFFAOYSA-N
XLogP3.74
TPSA97.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [9-[4-(2-aminoethyl)phenyl]-4-oxo-5H-thieno[2,3-c]quinolin-8-yl] morpholine-4-carboxylate with MolForge

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Related Compounds

9-[4-[2-(2-aminocyclopentyl)ethyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 67449221
9-[4-(4-aminobutan-2-yl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
CID 67450109
9-[4-[(2R)-1-aminopropan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 67448290
9-[3-fluoro-4-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 67450756
tert-butyl N-[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]-N-(2-methylpropyl)carbamate
CID 67448637
9-(4-chloro-3-fluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 53472668
(2,4-dichlorophenyl) morpholine-4-carboxylate
CID 134989455
9-[4-[(2S)-1-(dimethylamino)propan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 67450831
9-[3-[4-(aminomethyl)piperidin-1-yl]prop-1-enyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 123206643
4-hydroxy-6-[3-(morpholine-4-carbonyl)phenyl]-3-thiophen-2-yl-1H-quinolin-2-one
CID 162634116
N-(2-bromoethyl)-4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)-N-methylbenzenesulfonamide
CID 67450781
2-(4-morpholin-4-ylphenyl)ethanamine
CID 23009596

Frequently Asked Questions

What is the IUPAC name of [9-[4-(2-aminoethyl)phenyl]-4-oxo-5H-thieno[2,3-c]quinolin-8-yl] morpholine-4-carboxylate?
The IUPAC name of [9-[4-(2-aminoethyl)phenyl]-4-oxo-5H-thieno[2,3-c]quinolin-8-yl] morpholine-4-carboxylate (CID 67449597) is [9-[4-(2-aminoethyl)phenyl]-4-oxo-5H-thieno[2,3-c]quinolin-8-yl] morpholine-4-carboxylate.
What is the SMILES notation for [9-[4-(2-aminoethyl)phenyl]-4-oxo-5H-thieno[2,3-c]quinolin-8-yl] morpholine-4-carboxylate?
The canonical SMILES for [9-[4-(2-aminoethyl)phenyl]-4-oxo-5H-thieno[2,3-c]quinolin-8-yl] morpholine-4-carboxylate is NCCc1ccc(-c2c(OC(=O)N3CCOCC3)ccc3[nH]c(=O)c4sccc4c23)cc1.
What is the InChIKey of [9-[4-(2-aminoethyl)phenyl]-4-oxo-5H-thieno[2,3-c]quinolin-8-yl] morpholine-4-carboxylate?
The InChIKey is IBYNAKLOEOOPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c25-9-7-15-1-3-16(4-2-15)20-19(31-24(29)27-10-12-30-13-11-27)6-5-18-21(20)17-8-14-32-22(17)23(28)26-18/h1-6,8,14H,7,9-13,25H2,(H,26,28).
What are the key properties of [9-[4-(2-aminoethyl)phenyl]-4-oxo-5H-thieno[2,3-c]quinolin-8-yl] morpholine-4-carboxylate?
[9-[4-(2-aminoethyl)phenyl]-4-oxo-5H-thieno[2,3-c]quinolin-8-yl] morpholine-4-carboxylate has a molecular weight of 449.53 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[4-(2-aminoethyl)phenyl]-4-oxo-5H-thieno[2,3-c]quinolin-8-yl] morpholine-4-carboxylate is sourced from PubChem (CID 67449597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).