6-[(2R)-2-hydroxy-3-(2-methoxyethylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one

C15H22N2O4 — CID 124570235

IUPAC6-[(2R)-2-hydroxy-3-(2-methoxyethylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCOCCNC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C15H22N2O4/c1-20-7-6-16-9-12(18)10-21-13-3-4-14-11(8-13)2-5-15(19)17-14/h3-4,8,12,16,18H,2,5-7,9-10H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeyMPZJMSMDTFSYCR-GFCCVEGCSA-N
MW294.35 g/mol
LogP0.55
Rot. Bonds8

About 6-[(2R)-2-hydroxy-3-(2-methoxyethylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one

6-[(2R)-2-hydroxy-3-(2-methoxyethylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 124570235) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 6-[(2R)-2-hydroxy-3-(2-methoxyethylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(2R)-2-hydroxy-3-(2-methoxyethylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID124570235
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name6-[(2R)-2-hydroxy-3-(2-methoxyethylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCOCCNC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C15H22N2O4/c1-20-7-6-16-9-12(18)10-21-13-3-4-14-11(8-13)2-5-15(19)17-14/h3-4,8,12,16,18H,2,5-7,9-10H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeyMPZJMSMDTFSYCR-GFCCVEGCSA-N
XLogP0.55
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[2-hydroxy-3-[[(1S)-1-pyridin-2-ylpropyl]amino]propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 167885744
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798
6-[3-(tert-butylamino)-2-methylpropoxy]-3,4-dihydro-1H-quinolin-2-one
CID 103074282
methyl 2-amino-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 63039322
6-[3-(benzenesulfinyl)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one
CID 20540129
N-[4-(2-methoxyethoxy)phenyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 55658148
(2S)-1-(4-chloro-3-methylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 39372938
2-(2-methoxyethylamino)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide;hydrochloride
CID 119729824
(2S)-1-(4-ethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 39356436
6-pentoxy-3,4-dihydro-1H-quinolin-2-one
CID 42598028
6-[2-(2,6-difluorophenyl)-2-hydroxyethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 109403412
6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 79395861

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-hydroxy-3-(2-methoxyethylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(2R)-2-hydroxy-3-(2-methoxyethylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one (CID 124570235) is 6-[(2R)-2-hydroxy-3-(2-methoxyethylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(2R)-2-hydroxy-3-(2-methoxyethylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(2R)-2-hydroxy-3-(2-methoxyethylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one is COCCNC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-[(2R)-2-hydroxy-3-(2-methoxyethylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is MPZJMSMDTFSYCR-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-20-7-6-16-9-12(18)10-21-13-3-4-14-11(8-13)2-5-15(19)17-14/h3-4,8,12,16,18H,2,5-7,9-10H2,1H3,(H,17,19)/t12-/m1/s1.
What are the key properties of 6-[(2R)-2-hydroxy-3-(2-methoxyethylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one?
6-[(2R)-2-hydroxy-3-(2-methoxyethylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 294.35 g/mol, XLogP of 0.55, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-hydroxy-3-(2-methoxyethylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 124570235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).