(2S)-2-amino-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-1-one

C16H24N2O — CID 107143827

IUPAC(2S)-2-amino-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-1-one
SMILESCCCC[C@H](N)C(=O)N1c2ccccc2CCC1C
InChIInChI=1S/C16H24N2O/c1-3-4-8-14(17)16(19)18-12(2)10-11-13-7-5-6-9-15(13)18/h5-7,9,12,14H,3-4,8,10-11,17H2,1-2H3/t12?,14-/m0/s1
InChIKeyJVNDQWQUHPYHDN-PYMCNQPYSA-N
MW260.38 g/mol
LogP2.87
Rot. Bonds4

About (2S)-2-amino-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-1-one

(2S)-2-amino-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-1-one (PubChem CID 107143827) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (2S)-2-amino-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-1-one
PubChem CID107143827
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(2S)-2-amino-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-1-one
SMILESCCCC[C@H](N)C(=O)N1c2ccccc2CCC1C
InChIInChI=1S/C16H24N2O/c1-3-4-8-14(17)16(19)18-12(2)10-11-13-7-5-6-9-15(13)18/h5-7,9,12,14H,3-4,8,10-11,17H2,1-2H3/t12?,14-/m0/s1
InChIKeyJVNDQWQUHPYHDN-PYMCNQPYSA-N
XLogP2.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanone
CID 104897098
2,2-dichloro-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 22328468
(2R)-2-amino-1-(2-methyl-2,3-dihydroindol-1-yl)-4-methylsulfanylbutan-1-one
CID 104906801
[amino-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methylidene]-diethylazanium
CID 6338961
1-(2-aminopentanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 78967654
(2S)-1-[(2R)-2-aminopentanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 103870802
3-chloro-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 36690377
(4-ethylphenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112765959
2-bromo-2-methyl-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 116816888
2-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)hexanamide
CID 62305097
methyl 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetate
CID 112616576
[1-(aminomethyl)-3-methylcyclobutyl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 80587521

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-1-one?
The IUPAC name of (2S)-2-amino-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-1-one (CID 107143827) is (2S)-2-amino-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-1-one?
The canonical SMILES for (2S)-2-amino-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-1-one is CCCC[C@H](N)C(=O)N1c2ccccc2CCC1C.
What is the InChIKey of (2S)-2-amino-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-1-one?
The InChIKey is JVNDQWQUHPYHDN-PYMCNQPYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-4-8-14(17)16(19)18-12(2)10-11-13-7-5-6-9-15(13)18/h5-7,9,12,14H,3-4,8,10-11,17H2,1-2H3/t12?,14-/m0/s1.
What are the key properties of (2S)-2-amino-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-1-one?
(2S)-2-amino-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-1-one has a molecular weight of 260.38 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-1-one is sourced from PubChem (CID 107143827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).