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

C18H20N2O — CID 104897098

IUPAC(2S)-2-amino-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanone
SMILESCC1CCc2ccccc2N1C(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C18H20N2O/c1-13-11-12-14-7-5-6-10-16(14)20(13)18(21)17(19)15-8-3-2-4-9-15/h2-10,13,17H,11-12,19H2,1H3/t13?,17-/m0/s1
InChIKeyFYOHCTUXEIPSAD-RUINGEJQSA-N
MW280.37 g/mol
LogP3.05
Rot. Bonds2

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

(2S)-2-amino-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanone (PubChem CID 104897098) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (2S)-2-amino-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanone.

Molecular Properties

Compound Name(2S)-2-amino-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanone
PubChem CID104897098
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(2S)-2-amino-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanone
SMILESCC1CCc2ccccc2N1C(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C18H20N2O/c1-13-11-12-14-7-5-6-10-16(14)20(13)18(21)17(19)15-8-3-2-4-9-15/h2-10,13,17H,11-12,19H2,1H3/t13?,17-/m0/s1
InChIKeyFYOHCTUXEIPSAD-RUINGEJQSA-N
XLogP3.05
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dichloro-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 22328468
(2S)-2-amino-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-1-one
CID 107143827
2-(2,2-diphenylethylamino)-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 68967214
2-amino-1-(2,3-dihydroindol-1-yl)-2-phenylethanone
CID 20930646
N-[3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-phenylpropyl]acetamide
CID 112765903
2-bromo-2-methyl-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 116816888
methyl 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetate
CID 112616576
[amino-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methylidene]-diethylazanium
CID 6338961
3-chloro-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 36690377
2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 78846470
2-amino-1-(2-methylpiperidin-1-yl)-2-phenylethanone
CID 24694891
2-(3,4-difluorophenoxy)-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 112813162

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanone?
The IUPAC name of (2S)-2-amino-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanone (CID 104897098) is (2S)-2-amino-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanone.
What is the SMILES notation for (2S)-2-amino-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanone?
The canonical SMILES for (2S)-2-amino-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanone is CC1CCc2ccccc2N1C(=O)[C@@H](N)c1ccccc1.
What is the InChIKey of (2S)-2-amino-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanone?
The InChIKey is FYOHCTUXEIPSAD-RUINGEJQSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13-11-12-14-7-5-6-10-16(14)20(13)18(21)17(19)15-8-3-2-4-9-15/h2-10,13,17H,11-12,19H2,1H3/t13?,17-/m0/s1.
What are the key properties of (2S)-2-amino-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanone?
(2S)-2-amino-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanone has a molecular weight of 280.37 g/mol, XLogP of 3.05, 2 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)-2-phenylethanone is sourced from PubChem (CID 104897098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).