(2S)-2-amino-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanone

C18H20N2O — CID 104897677

IUPAC(2S)-2-amino-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanone
SMILESCc1cccc2c1N(C(=O)[C@@H](N)c1ccccc1)CCC2
InChIInChI=1S/C18H20N2O/c1-13-7-5-10-15-11-6-12-20(17(13)15)18(21)16(19)14-8-3-2-4-9-14/h2-5,7-10,16H,6,11-12,19H2,1H3/t16-/m0/s1
InChIKeyDHBOAYYCJVQURK-INIZCTEOSA-N
MW280.37 g/mol
LogP2.97
Rot. Bonds2

About (2S)-2-amino-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanone

(2S)-2-amino-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanone (PubChem CID 104897677) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (2S)-2-amino-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanone.

Molecular Properties

Compound Name(2S)-2-amino-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanone
PubChem CID104897677
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(2S)-2-amino-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanone
SMILESCc1cccc2c1N(C(=O)[C@@H](N)c1ccccc1)CCC2
InChIInChI=1S/C18H20N2O/c1-13-7-5-10-15-11-6-12-20(17(13)15)18(21)16(19)14-8-3-2-4-9-14/h2-5,7-10,16H,6,11-12,19H2,1H3/t16-/m0/s1
InChIKeyDHBOAYYCJVQURK-INIZCTEOSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 81088199
(2S)-2-amino-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-methylsulfanylbutan-1-one
CID 61253817
2-amino-1-(2,3-dihydroindol-1-yl)-2-phenylethanone
CID 20930646
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 86885705
1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 60704653
2-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 60721467
2-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103977977
2-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)chromen-4-one
CID 51074599
(5-amino-2-methylphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 61290980
[4-(aminomethyl)oxan-4-yl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 115439469
(3,5-dimethyl-1,2-oxazol-4-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 47131464
(2,4-dibromophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107951713

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanone?
The IUPAC name of (2S)-2-amino-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanone (CID 104897677) is (2S)-2-amino-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanone.
What is the SMILES notation for (2S)-2-amino-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanone?
The canonical SMILES for (2S)-2-amino-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanone is Cc1cccc2c1N(C(=O)[C@@H](N)c1ccccc1)CCC2.
What is the InChIKey of (2S)-2-amino-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanone?
The InChIKey is DHBOAYYCJVQURK-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13-7-5-10-15-11-6-12-20(17(13)15)18(21)16(19)14-8-3-2-4-9-14/h2-5,7-10,16H,6,11-12,19H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-2-amino-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanone?
(2S)-2-amino-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanone has a molecular weight of 280.37 g/mol, XLogP of 2.97, 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-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanone is sourced from PubChem (CID 104897677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).