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

C13H18N2O — CID 63466515

IUPAC3-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESCC1Cc2ccccc2N(C(=O)CCN)C1
InChIInChI=1S/C13H18N2O/c1-10-8-11-4-2-3-5-12(11)15(9-10)13(16)6-7-14/h2-5,10H,6-9,14H2,1H3
InChIKeyLUCAGHFGXKVVNE-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.56
Rot. Bonds2

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

3-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one (PubChem CID 63466515) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
PubChem CID63466515
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESCC1Cc2ccccc2N(C(=O)CCN)C1
InChIInChI=1S/C13H18N2O/c1-10-8-11-4-2-3-5-12(11)15(9-10)13(16)6-7-14/h2-5,10H,6-9,14H2,1H3
InChIKeyLUCAGHFGXKVVNE-UHFFFAOYSA-N
XLogP1.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 81079948
2-anilino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;hydrochloride
CID 119776726
1-[(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 95326480
1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(nitrosomethyl)prop-2-en-1-one
CID 166787687
(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
(2R)-2-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one;hydrochloride
CID 119319569
1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-piperidin-1-ylsulfonylpentan-1-one
CID 110414609
2-(5-amino-2-pyridinyl)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 107338817
(2-aminophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63401608
2-amino-3-methyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 63522833
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 66381388

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The IUPAC name of 3-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one (CID 63466515) is 3-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one is CC1Cc2ccccc2N(C(=O)CCN)C1.
What is the InChIKey of 3-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The InChIKey is LUCAGHFGXKVVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-8-11-4-2-3-5-12(11)15(9-10)13(16)6-7-14/h2-5,10H,6-9,14H2,1H3.
What are the key properties of 3-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
3-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one has a molecular weight of 218.30 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one is sourced from PubChem (CID 63466515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).