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

C14H20N2O2 — CID 103021502

IUPAC1-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methoxy-2-methylpropan-1-one
SMILESCOC(C)(C)C(=O)N1CC(N)Cc2ccccc21
InChIInChI=1S/C14H20N2O2/c1-14(2,18-3)13(17)16-9-11(15)8-10-6-4-5-7-12(10)16/h4-7,11H,8-9,15H2,1-3H3
InChIKeyFLLWACHTFUJORJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.33
Rot. Bonds2

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

1-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methoxy-2-methylpropan-1-one (PubChem CID 103021502) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methoxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methoxy-2-methylpropan-1-one
PubChem CID103021502
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methoxy-2-methylpropan-1-one
SMILESCOC(C)(C)C(=O)N1CC(N)Cc2ccccc21
InChIInChI=1S/C14H20N2O2/c1-14(2,18-3)13(17)16-9-11(15)8-10-6-4-5-7-12(10)16/h4-7,11H,8-9,15H2,1-3H3
InChIKeyFLLWACHTFUJORJ-UHFFFAOYSA-N
XLogP1.33
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2,2-difluoroethanone
CID 103514183
2-methyl-2-(methylamino)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 55195653
(3S)-1-hydroxy-3,4-dihydro-2H-quinolin-3-amine
CID 56971695
3-amino-N-[4-(1-fluoro-1-phosphanylethoxy)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 170102348
3-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoic acid
CID 79621871
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methylfuran-3-yl)methanone
CID 114821989
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 107672090
2-amino-2-cyclopropyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 55196224
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 106753653
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-4-methylphenyl)methanone
CID 106862190
3-(3-amino-3,4-dihydro-2H-quinoline-1-carbonyl)-6-methyl-1H-pyridin-2-one
CID 104772854
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-[(2R)-oxolan-2-yl]methanone
CID 104856313

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methoxy-2-methylpropan-1-one?
The IUPAC name of 1-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methoxy-2-methylpropan-1-one (CID 103021502) is 1-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methoxy-2-methylpropan-1-one.
What is the SMILES notation for 1-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methoxy-2-methylpropan-1-one?
The canonical SMILES for 1-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methoxy-2-methylpropan-1-one is COC(C)(C)C(=O)N1CC(N)Cc2ccccc21.
What is the InChIKey of 1-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methoxy-2-methylpropan-1-one?
The InChIKey is FLLWACHTFUJORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2,18-3)13(17)16-9-11(15)8-10-6-4-5-7-12(10)16/h4-7,11H,8-9,15H2,1-3H3.
What are the key properties of 1-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methoxy-2-methylpropan-1-one?
1-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methoxy-2-methylpropan-1-one has a molecular weight of 248.33 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methoxy-2-methylpropan-1-one is sourced from PubChem (CID 103021502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).