1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-phenoxypropan-1-one

C19H21NO4 — CID 110636690

IUPAC1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-phenoxypropan-1-one
SMILESCOc1ccc2c(c1)C(O)CCN2C(=O)CCOc1ccccc1
InChIInChI=1S/C19H21NO4/c1-23-15-7-8-17-16(13-15)18(21)9-11-20(17)19(22)10-12-24-14-5-3-2-4-6-14/h2-8,13,18,21H,9-12H2,1H3
InChIKeyUWZOEJKROBPWKD-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.93
Rot. Bonds5

About 1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-phenoxypropan-1-one

1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-phenoxypropan-1-one (PubChem CID 110636690) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-phenoxypropan-1-one
PubChem CID110636690
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-phenoxypropan-1-one
SMILESCOc1ccc2c(c1)C(O)CCN2C(=O)CCOc1ccccc1
InChIInChI=1S/C19H21NO4/c1-23-15-7-8-17-16(13-15)18(21)9-11-20(17)19(22)10-12-24-14-5-3-2-4-6-14/h2-8,13,18,21H,9-12H2,1H3
InChIKeyUWZOEJKROBPWKD-UHFFFAOYSA-N
XLogP2.93
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-phenoxypropan-1-one with MolForge

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Related Compounds

4-hydroxy-6-methoxy-N-phenyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110636695
1-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-3-(3-methoxyphenyl)propan-1-one
CID 110636401
1-(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-3-(3-methoxyphenyl)propan-1-one
CID 110636565
2-(3,4-dimethoxyphenyl)-1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110636703
(2,6-dimethoxyphenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110636672
2-(2,4-dichlorophenoxy)-1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110636689
1-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3,3-diphenylpropan-1-one
CID 110637106
1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 110709443
4-hydroxy-6-methoxy-N-propyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110636732
6-methoxy-1-(4-phenoxybutanoyl)-2,3-dihydroquinolin-4-one
CID 110635212
(4-fluorophenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110636661
(3,6-dichloro-2-methoxyphenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110636721

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-phenoxypropan-1-one?
The IUPAC name of 1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-phenoxypropan-1-one (CID 110636690) is 1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-phenoxypropan-1-one.
What is the SMILES notation for 1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-phenoxypropan-1-one?
The canonical SMILES for 1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-phenoxypropan-1-one is COc1ccc2c(c1)C(O)CCN2C(=O)CCOc1ccccc1.
What is the InChIKey of 1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-phenoxypropan-1-one?
The InChIKey is UWZOEJKROBPWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-23-15-7-8-17-16(13-15)18(21)9-11-20(17)19(22)10-12-24-14-5-3-2-4-6-14/h2-8,13,18,21H,9-12H2,1H3.
What are the key properties of 1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-phenoxypropan-1-one?
1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-phenoxypropan-1-one has a molecular weight of 327.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-phenoxypropan-1-one is sourced from PubChem (CID 110636690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).