3-amino-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one

C14H20N2O2 — CID 54876637

IUPAC3-amino-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
SMILESCOc1cccc2c1N(C(=O)CC(C)N)CCC2
InChIInChI=1S/C14H20N2O2/c1-10(15)9-13(17)16-8-4-6-11-5-3-7-12(18-2)14(11)16/h3,5,7,10H,4,6,8-9,15H2,1-2H3
InChIKeyMQNKEEYJHYGFKP-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.71
Rot. Bonds3

About 3-amino-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one

3-amino-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one (PubChem CID 54876637) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-amino-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one.

Molecular Properties

Compound Name3-amino-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
PubChem CID54876637
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-amino-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
SMILESCOc1cccc2c1N(C(=O)CC(C)N)CCC2
InChIInChI=1S/C14H20N2O2/c1-10(15)9-13(17)16-8-4-6-11-5-3-7-12(18-2)14(11)16/h3,5,7,10H,4,6,8-9,15H2,1-2H3
InChIKeyMQNKEEYJHYGFKP-UHFFFAOYSA-N
XLogP1.71
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 63681436
2-(1-aminocyclopentyl)-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 64677547
1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 115950342
2-amino-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 54876805
(1-aminocyclopropyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 65466415
3-(ethylamino)-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 62834203
(1-aminocyclohexyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 60951658
(4-aminophenyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 60951513
2-amino-2-cyclopropyl-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 60951388
(3,4-dimethoxyphenyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 17234056
2-[(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]propanoic acid
CID 61457991
2-(4-bromo-2-fluorophenoxy)-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 43066673

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
The IUPAC name of 3-amino-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one (CID 54876637) is 3-amino-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one.
What is the SMILES notation for 3-amino-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
The canonical SMILES for 3-amino-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one is COc1cccc2c1N(C(=O)CC(C)N)CCC2.
What is the InChIKey of 3-amino-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
The InChIKey is MQNKEEYJHYGFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(15)9-13(17)16-8-4-6-11-5-3-7-12(18-2)14(11)16/h3,5,7,10H,4,6,8-9,15H2,1-2H3.
What are the key properties of 3-amino-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
3-amino-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one has a molecular weight of 248.33 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one is sourced from PubChem (CID 54876637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).