(2R)-2-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one;hydrochloride

C13H19ClN2O — CID 119319569

IUPAC(2R)-2-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one;hydrochloride
SMILESCC1Cc2ccccc2N(C(=O)[C@@H](C)N)C1.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-9-7-11-5-3-4-6-12(11)15(8-9)13(16)10(2)14;/h3-6,9-10H,7-8,14H2,1-2H3;1H/t9?,10-;/m1./s1
InChIKeyFJUMZXFAGZSXKZ-FJYJDOHQSA-N
MW254.76 g/mol
LogP1.98
Rot. Bonds1

About (2R)-2-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one;hydrochloride

(2R)-2-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one;hydrochloride (PubChem CID 119319569) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is (2R)-2-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one;hydrochloride
PubChem CID119319569
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name(2R)-2-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one;hydrochloride
SMILESCC1Cc2ccccc2N(C(=O)[C@@H](C)N)C1.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-9-7-11-5-3-4-6-12(11)15(8-9)13(16)10(2)14;/h3-6,9-10H,7-8,14H2,1-2H3;1H/t9?,10-;/m1./s1
InChIKeyFJUMZXFAGZSXKZ-FJYJDOHQSA-N
XLogP1.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one;hydrochloride with MolForge

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Related Compounds

2-amino-3-methyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 63522833
(2R)-2-amino-3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 103929918
2-(methylamino)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 63522299
(2S)-2-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-methylsulfanylbutan-1-one
CID 63523011
3-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 63466515
2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 20806588
(2-aminophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63401608
N-(2-chloropropanoyl)-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 63548864
(2S)-2-amino-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propan-1-one;hydrochloride
CID 119294288
1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-yn-1-one
CID 166787570
(1-aminocyclobutyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81169109
N',3-dimethyl-3,4-dihydro-2H-quinoline-1-carboximidamide
CID 63489252

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one;hydrochloride?
The IUPAC name of (2R)-2-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one;hydrochloride (CID 119319569) is (2R)-2-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for (2R)-2-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for (2R)-2-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one;hydrochloride is CC1Cc2ccccc2N(C(=O)[C@@H](C)N)C1.Cl.
What is the InChIKey of (2R)-2-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one;hydrochloride?
The InChIKey is FJUMZXFAGZSXKZ-FJYJDOHQSA-N. The full InChI is InChI=1S/C13H18N2O.ClH/c1-9-7-11-5-3-4-6-12(11)15(8-9)13(16)10(2)14;/h3-6,9-10H,7-8,14H2,1-2H3;1H/t9?,10-;/m1./s1.
What are the key properties of (2R)-2-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one;hydrochloride?
(2R)-2-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one;hydrochloride has a molecular weight of 254.76 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 119319569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).