(2S)-2-amino-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one

C15H22N2O2 — CID 107569298

IUPAC(2S)-2-amino-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
SMILESCCC[C@H](N)C(=O)N1CCCc2cc(OC)ccc21
InChIInChI=1S/C15H22N2O2/c1-3-5-13(16)15(18)17-9-4-6-11-10-12(19-2)7-8-14(11)17/h7-8,10,13H,3-6,9,16H2,1-2H3/t13-/m0/s1
InChIKeyPJMGJEILUGFACT-ZDUSSCGKSA-N
MW262.35 g/mol
LogP2.10
Rot. Bonds4

About (2S)-2-amino-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one

(2S)-2-amino-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one (PubChem CID 107569298) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2S)-2-amino-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
PubChem CID107569298
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2S)-2-amino-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
SMILESCCC[C@H](N)C(=O)N1CCCc2cc(OC)ccc21
InChIInChI=1S/C15H22N2O2/c1-3-5-13(16)15(18)17-9-4-6-11-10-12(19-2)7-8-14(11)17/h7-8,10,13H,3-6,9,16H2,1-2H3/t13-/m0/s1
InChIKeyPJMGJEILUGFACT-ZDUSSCGKSA-N
XLogP2.10
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

1-(2-aminopentanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157588
(2S,3S)-2-amino-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-methylpentan-1-one
CID 61258316
2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 23301657
(2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-4-methylsulfanylbutan-1-one
CID 119310085
(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
1-(2-aminohexanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157599
(2R)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenoxy)propan-1-one
CID 30257325
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one
CID 83624052
2-amino-1-(5-tert-butyl-2,3-dihydroindol-1-yl)pentan-1-one;hydrochloride
CID 119313316
2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)pentan-1-one
CID 119280348
(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 (2S)-2-amino-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one?
The IUPAC name of (2S)-2-amino-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one (CID 107569298) is (2S)-2-amino-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one?
The canonical SMILES for (2S)-2-amino-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one is CCC[C@H](N)C(=O)N1CCCc2cc(OC)ccc21.
What is the InChIKey of (2S)-2-amino-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one?
The InChIKey is PJMGJEILUGFACT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-5-13(16)15(18)17-9-4-6-11-10-12(19-2)7-8-14(11)17/h7-8,10,13H,3-6,9,16H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-2-amino-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one?
(2S)-2-amino-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one has a molecular weight of 262.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one is sourced from PubChem (CID 107569298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).