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

C21H26N2O3 — CID 23301657

IUPAC2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESCOc1ccc2c(c1)CCCN2C(=O)C(N)Cc1c(C)cc(O)cc1C
InChIInChI=1S/C21H26N2O3/c1-13-9-16(24)10-14(2)18(13)12-19(22)21(25)23-8-4-5-15-11-17(26-3)6-7-20(15)23/h6-7,9-11,19,24H,4-5,8,12,22H2,1-3H3
InChIKeyOWKYAGMKYVSEJI-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.87
Rot. Bonds4

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

2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one (PubChem CID 23301657) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
PubChem CID23301657
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESCOc1ccc2c(c1)CCCN2C(=O)C(N)Cc1c(C)cc(O)cc1C
InChIInChI=1S/C21H26N2O3/c1-13-9-16(24)10-14(2)18(13)12-19(22)21(25)23-8-4-5-15-11-17(26-3)6-7-20(15)23/h6-7,9-11,19,24H,4-5,8,12,22H2,1-3H3
InChIKeyOWKYAGMKYVSEJI-UHFFFAOYSA-N
XLogP2.87
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

(2R)-2-amino-3-(2-chloro-4-methoxy-6-methylphenyl)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 54286899
[4-[2-amino-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3,5-dimethylphenyl] prop-2-enyl carbonate
CID 23301721
2-amino-1-(3,4-dihydro-2H-quinolin-1-yl)-3-(4-hydroxy-2,6-dimethylphenyl)propan-1-one
CID 23301617
(2S)-2-amino-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 107569298
(2S,3S)-2-amino-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-methylpentan-1-one
CID 61258316
(2R)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenoxy)propan-1-one
CID 30257325
[4-[(2R)-2-amino-3-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3,5-dimethylphenyl] methyl carbonate
CID 54517051
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one
CID 83624052
(2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-4-methylsulfanylbutan-1-one
CID 119310085
[4-[(2R)-2-amino-3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3,5-dimethylphenyl] methyl carbonate
CID 54026327
(2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride
CID 119310076
(2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-3,3-dimethylbutan-1-one;hydrochloride
CID 119760433

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The IUPAC name of 2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one (CID 23301657) is 2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one.
What is the SMILES notation for 2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The canonical SMILES for 2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one is COc1ccc2c(c1)CCCN2C(=O)C(N)Cc1c(C)cc(O)cc1C.
What is the InChIKey of 2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The InChIKey is OWKYAGMKYVSEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-13-9-16(24)10-14(2)18(13)12-19(22)21(25)23-8-4-5-15-11-17(26-3)6-7-20(15)23/h6-7,9-11,19,24H,4-5,8,12,22H2,1-3H3.
What are the key properties of 2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one has a molecular weight of 354.45 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one is sourced from PubChem (CID 23301657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).