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

C11H12F2N2O — CID 103514183

IUPAC1-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2,2-difluoroethanone
SMILESNC1Cc2ccccc2N(C(=O)C(F)F)C1
InChIInChI=1S/C11H12F2N2O/c12-10(13)11(16)15-6-8(14)5-7-3-1-2-4-9(7)15/h1-4,8,10H,5-6,14H2
InChIKeyFHGMPTZINLTARJ-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.17
Rot. Bonds1

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

1-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2,2-difluoroethanone (PubChem CID 103514183) has the molecular formula C11H12F2N2O and a molecular weight of 226.23 g/mol. Its IUPAC name is 1-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2,2-difluoroethanone.

Molecular Properties

Compound Name1-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2,2-difluoroethanone
PubChem CID103514183
Molecular FormulaC11H12F2N2O
Molecular Weight226.23 g/mol
Exact Mass226.09
IUPAC Name1-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2,2-difluoroethanone
SMILESNC1Cc2ccccc2N(C(=O)C(F)F)C1
InChIInChI=1S/C11H12F2N2O/c12-10(13)11(16)15-6-8(14)5-7-3-1-2-4-9(7)15/h1-4,8,10H,5-6,14H2
InChIKeyFHGMPTZINLTARJ-UHFFFAOYSA-N
XLogP1.17
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2,2-difluoroethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methoxy-2-methylpropan-1-one
CID 103021502
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-bromo-2-pyridinyl)methanone
CID 107520064
(3S)-1-hydroxy-3,4-dihydro-2H-quinolin-3-amine
CID 56971695
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-[(2R)-oxolan-2-yl]methanone
CID 104856313
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromofuran-3-yl)methanone
CID 106855124
(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
(2R)-2-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one;hydrochloride
CID 119319569
(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
2-amino-3-methyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 63522833

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2,2-difluoroethanone?
The IUPAC name of 1-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2,2-difluoroethanone (CID 103514183) is 1-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2,2-difluoroethanone.
What is the SMILES notation for 1-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2,2-difluoroethanone?
The canonical SMILES for 1-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2,2-difluoroethanone is NC1Cc2ccccc2N(C(=O)C(F)F)C1.
What is the InChIKey of 1-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2,2-difluoroethanone?
The InChIKey is FHGMPTZINLTARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O/c12-10(13)11(16)15-6-8(14)5-7-3-1-2-4-9(7)15/h1-4,8,10H,5-6,14H2.
What are the key properties of 1-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2,2-difluoroethanone?
1-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2,2-difluoroethanone has a molecular weight of 226.23 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2,2-difluoroethanone is sourced from PubChem (CID 103514183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).