5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

C15H18N2O2S — CID 103785395

IUPAC5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCCC2NCC(O)c1ccsc1
InChIInChI=1S/C15H18N2O2S/c18-14(10-6-7-20-9-10)8-16-12-2-1-3-13-11(12)4-5-15(19)17-13/h4-7,9,12,14,16,18H,1-3,8H2,(H,17,19)
InChIKeyLBBZMZWKGPHGAG-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.14
Rot. Bonds4

About 5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 103785395) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID103785395
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCCC2NCC(O)c1ccsc1
InChIInChI=1S/C15H18N2O2S/c18-14(10-6-7-20-9-10)8-16-12-2-1-3-13-11(12)4-5-15(19)17-13/h4-7,9,12,14,16,18H,1-3,8H2,(H,17,19)
InChIKeyLBBZMZWKGPHGAG-UHFFFAOYSA-N
XLogP2.14
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one with MolForge

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Related Compounds

5-[(3,3-difluoro-2-hydroxypropyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 103788075
5-[[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 22890957
5-(2-methylsulfanylpropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 113349035
5-[[2-(dimethylamino)-3-methylbutyl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81108285
5-(2-aminoethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81108138
5-[(2-hydroxycyclopentyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81107715
(5S)-5-(methylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 89053172
5-(3,3-dimethylbutylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 113260561
5-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 115358998
3,3-dicyclopropyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)propanamide
CID 48591784
5-(2-propan-2-yloxyethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 113429600
5-(2-ethylsulfonylethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 103781006

Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 103785395) is 5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is O=c1ccc2c([nH]1)CCCC2NCC(O)c1ccsc1.
What is the InChIKey of 5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is LBBZMZWKGPHGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c18-14(10-6-7-20-9-10)8-16-12-2-1-3-13-11(12)4-5-15(19)17-13/h4-7,9,12,14,16,18H,1-3,8H2,(H,17,19).
What are the key properties of 5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 290.39 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 103785395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).