1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-hydroxy-1-methoxy-2-methylbutan-2-yl)amino]ethanone

C17H26N2O3 — CID 111860110

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-hydroxy-1-methoxy-2-methylbutan-2-yl)amino]ethanone
SMILESCOCC(C)(CCO)NCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C17H26N2O3/c1-17(9-11-20,13-22-2)18-12-16(21)19-10-5-7-14-6-3-4-8-15(14)19/h3-4,6,8,18,20H,5,7,9-13H2,1-2H3
InChIKeyDWFICZLHRXYEHV-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.34
Rot. Bonds7

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-hydroxy-1-methoxy-2-methylbutan-2-yl)amino]ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-hydroxy-1-methoxy-2-methylbutan-2-yl)amino]ethanone (PubChem CID 111860110) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-hydroxy-1-methoxy-2-methylbutan-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-hydroxy-1-methoxy-2-methylbutan-2-yl)amino]ethanone
PubChem CID111860110
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-hydroxy-1-methoxy-2-methylbutan-2-yl)amino]ethanone
SMILESCOCC(C)(CCO)NCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C17H26N2O3/c1-17(9-11-20,13-22-2)18-12-16(21)19-10-5-7-14-6-3-4-8-15(14)19/h3-4,6,8,18,20H,5,7,9-13H2,1-2H3
InChIKeyDWFICZLHRXYEHV-UHFFFAOYSA-N
XLogP1.34
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-hydroxy-1-methoxy-2-methylbutan-2-yl)amino]ethanone with MolForge

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Related Compounds

2-(tert-butylamino)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
CID 78928291
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethanone
CID 68969181
2-(4-acetylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 9080074
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840833
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,5-dimethoxyanilino)ethanone
CID 54813893
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 669074
2-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-phenylpropanamide
CID 120590099
3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836165
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 110370846
2-[(2-methylpropan-2-yl)oxy]-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
CID 112605474
1-(3,4-dihydro-2H-quinolin-1-yl)-3,3,5,5-tetramethyl-7-(methylamino)heptan-1-one
CID 145281113

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-hydroxy-1-methoxy-2-methylbutan-2-yl)amino]ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-hydroxy-1-methoxy-2-methylbutan-2-yl)amino]ethanone (CID 111860110) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-hydroxy-1-methoxy-2-methylbutan-2-yl)amino]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-hydroxy-1-methoxy-2-methylbutan-2-yl)amino]ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-hydroxy-1-methoxy-2-methylbutan-2-yl)amino]ethanone is COCC(C)(CCO)NCC(=O)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-hydroxy-1-methoxy-2-methylbutan-2-yl)amino]ethanone?
The InChIKey is DWFICZLHRXYEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-17(9-11-20,13-22-2)18-12-16(21)19-10-5-7-14-6-3-4-8-15(14)19/h3-4,6,8,18,20H,5,7,9-13H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-hydroxy-1-methoxy-2-methylbutan-2-yl)amino]ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-hydroxy-1-methoxy-2-methylbutan-2-yl)amino]ethanone has a molecular weight of 306.41 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-hydroxy-1-methoxy-2-methylbutan-2-yl)amino]ethanone is sourced from PubChem (CID 111860110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).