2-amino-1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one

C18H20N2O — CID 24710591

IUPAC2-amino-1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one
SMILESNC(Cc1ccccc1)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C18H20N2O/c19-16(13-14-7-2-1-3-8-14)18(21)20-12-6-10-15-9-4-5-11-17(15)20/h1-5,7-9,11,16H,6,10,12-13,19H2
InChIKeyIEWOUUVCBPDTNK-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.54
Rot. Bonds3

About 2-amino-1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one

2-amino-1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one (PubChem CID 24710591) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-amino-1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one
PubChem CID24710591
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-amino-1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one
SMILESNC(Cc1ccccc1)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C18H20N2O/c19-16(13-14-7-2-1-3-8-14)18(21)20-12-6-10-15-9-4-5-11-17(15)20/h1-5,7-9,11,16H,6,10,12-13,19H2
InChIKeyIEWOUUVCBPDTNK-UHFFFAOYSA-N
XLogP2.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(3,4-dihydro-2H-quinolin-1-yl)-3-(4-hydroxy-2,6-dimethylphenyl)propan-1-one
CID 23301617
1,3-bis(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpropane-1,3-dione
CID 3397137
N-benzyl-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108990709
2-amino-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpropanoic acid
CID 43385222
(2S)-2-amino-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propan-1-one;hydrochloride
CID 119294288
2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 3271608
2-amino-3-phenyl-1-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)propan-1-one
CID 76587033
2-(3,4-dihydro-2H-quinoline-1-carbonyl)-3,3-dimethylbutanoic acid
CID 116536652
2-benzylsulfinyl-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 123099535
2-amino-4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylbutanoic acid
CID 60919395
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]carbamic acid
CID 70362593

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one?
The IUPAC name of 2-amino-1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one (CID 24710591) is 2-amino-1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 2-amino-1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one?
The canonical SMILES for 2-amino-1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one is NC(Cc1ccccc1)C(=O)N1CCCc2ccccc21.
What is the InChIKey of 2-amino-1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one?
The InChIKey is IEWOUUVCBPDTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c19-16(13-14-7-2-1-3-8-14)18(21)20-12-6-10-15-9-4-5-11-17(15)20/h1-5,7-9,11,16H,6,10,12-13,19H2.
What are the key properties of 2-amino-1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one?
2-amino-1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one has a molecular weight of 280.37 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 24710591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).