6-[2-hydroxy-3-(thiophen-2-ylmethylamino)propoxy]-1H-quinolin-2-one

C17H18N2O3S — CID 10019540

IUPAC6-[2-hydroxy-3-(thiophen-2-ylmethylamino)propoxy]-1H-quinolin-2-one
SMILESO=c1ccc2cc(OCC(O)CNCc3cccs3)ccc2[nH]1
InChIInChI=1S/C17H18N2O3S/c20-13(9-18-10-15-2-1-7-23-15)11-22-14-4-5-16-12(8-14)3-6-17(21)19-16/h1-8,13,18,20H,9-11H2,(H,19,21)
InChIKeyMYOOPVVBPQSODW-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.12
Rot. Bonds7

About 6-[2-hydroxy-3-(thiophen-2-ylmethylamino)propoxy]-1H-quinolin-2-one

6-[2-hydroxy-3-(thiophen-2-ylmethylamino)propoxy]-1H-quinolin-2-one (PubChem CID 10019540) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 6-[2-hydroxy-3-(thiophen-2-ylmethylamino)propoxy]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-hydroxy-3-(thiophen-2-ylmethylamino)propoxy]-1H-quinolin-2-one
PubChem CID10019540
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name6-[2-hydroxy-3-(thiophen-2-ylmethylamino)propoxy]-1H-quinolin-2-one
SMILESO=c1ccc2cc(OCC(O)CNCc3cccs3)ccc2[nH]1
InChIInChI=1S/C17H18N2O3S/c20-13(9-18-10-15-2-1-7-23-15)11-22-14-4-5-16-12(8-14)3-6-17(21)19-16/h1-8,13,18,20H,9-11H2,(H,19,21)
InChIKeyMYOOPVVBPQSODW-UHFFFAOYSA-N
XLogP2.12
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2S)-3-[(3-ethoxyphenyl)methylamino]-2-hydroxypropoxy]-1H-quinolin-2-one;hydrochloride
CID 18647172
1-(3-chlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 60633223
1-(3-bromophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 60632931
6-[3-(N-ethylanilino)-2-hydroxypropoxy]-1H-quinolin-2-one
CID 15157779
1-(2,4-dichlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 60632969
(2R)-1-[4-(6-fluoro-2,1-benzoxazol-3-yl)phenoxy]-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 67013598
3-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one
CID 111434672
6-[2-hydroxy-3-[methyl(pyridin-2-yl)amino]propoxy]-1H-quinolin-2-one
CID 15157871
6-[3-[benzyl(ethyl)amino]-2-hydroxypropoxy]-1H-quinolin-2-one
CID 10316012
6-[3-[2-(benzenesulfonyl)ethyl-methylamino]-2-hydroxypropoxy]-1H-quinolin-2-one
CID 10364598
7-(2-hydroxy-3-methanidyloxypropoxy)-1H-quinolin-2-one;methanol;rutherfordium
CID 177262297
(2R)-1-(furan-2-ylmethylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 7223566

Frequently Asked Questions

What is the IUPAC name of 6-[2-hydroxy-3-(thiophen-2-ylmethylamino)propoxy]-1H-quinolin-2-one?
The IUPAC name of 6-[2-hydroxy-3-(thiophen-2-ylmethylamino)propoxy]-1H-quinolin-2-one (CID 10019540) is 6-[2-hydroxy-3-(thiophen-2-ylmethylamino)propoxy]-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-hydroxy-3-(thiophen-2-ylmethylamino)propoxy]-1H-quinolin-2-one?
The canonical SMILES for 6-[2-hydroxy-3-(thiophen-2-ylmethylamino)propoxy]-1H-quinolin-2-one is O=c1ccc2cc(OCC(O)CNCc3cccs3)ccc2[nH]1.
What is the InChIKey of 6-[2-hydroxy-3-(thiophen-2-ylmethylamino)propoxy]-1H-quinolin-2-one?
The InChIKey is MYOOPVVBPQSODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c20-13(9-18-10-15-2-1-7-23-15)11-22-14-4-5-16-12(8-14)3-6-17(21)19-16/h1-8,13,18,20H,9-11H2,(H,19,21).
What are the key properties of 6-[2-hydroxy-3-(thiophen-2-ylmethylamino)propoxy]-1H-quinolin-2-one?
6-[2-hydroxy-3-(thiophen-2-ylmethylamino)propoxy]-1H-quinolin-2-one has a molecular weight of 330.41 g/mol, XLogP of 2.12, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-hydroxy-3-(thiophen-2-ylmethylamino)propoxy]-1H-quinolin-2-one is sourced from PubChem (CID 10019540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).