(2S)-2-[(4S)-4-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]propanamide

C13H16F2N2O — CID 125478055

IUPAC(2S)-2-[(4S)-4-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]propanamide
SMILESC[C@@H](C(N)=O)N1CC[C@H](C(F)F)c2ccccc21
InChIInChI=1S/C13H16F2N2O/c1-8(13(16)18)17-7-6-10(12(14)15)9-4-2-3-5-11(9)17/h2-5,8,10,12H,6-7H2,1H3,(H2,16,18)/t8-,10-/m0/s1
InChIKeyJLKUUFQYLPPERB-WPRPVWTQSA-N
MW254.28 g/mol
LogP2.12
Rot. Bonds3

About (2S)-2-[(4S)-4-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]propanamide

(2S)-2-[(4S)-4-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]propanamide (PubChem CID 125478055) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is (2S)-2-[(4S)-4-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(4S)-4-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]propanamide
PubChem CID125478055
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name(2S)-2-[(4S)-4-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]propanamide
SMILESC[C@@H](C(N)=O)N1CC[C@H](C(F)F)c2ccccc21
InChIInChI=1S/C13H16F2N2O/c1-8(13(16)18)17-7-6-10(12(14)15)9-4-2-3-5-11(9)17/h2-5,8,10,12H,6-7H2,1H3,(H2,16,18)/t8-,10-/m0/s1
InChIKeyJLKUUFQYLPPERB-WPRPVWTQSA-N
XLogP2.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)propanamide
CID 86712773
(2R)-2-[(4S)-4-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]propanoic acid
CID 125478149
2-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-1-piperidin-1-ylpropan-1-one
CID 114337576
2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide
CID 63101431
2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 114336036
(2S)-2-spiro[2,3-dihydroquinoline-4,1'-cyclobutane]-1-ylpropanamide
CID 129409114
(2S)-2-[(3S)-3-[2-[4-(1H-indol-5-yl)piperazin-1-yl]ethyl]-2,3-dihydroindol-1-yl]propanamide
CID 68855427
2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-N-ethylpropanamide
CID 114336132
2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-N-propan-2-ylpropanamide
CID 114336316
2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-methylpropanamide
CID 63235930
1-propan-2-yl-4-(trifluoromethyl)-3,4-dihydro-2H-quinoline
CID 176766892
(3R)-1-[(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperidine-3-carboxamide
CID 32715892

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4S)-4-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]propanamide?
The IUPAC name of (2S)-2-[(4S)-4-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]propanamide (CID 125478055) is (2S)-2-[(4S)-4-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]propanamide.
What is the SMILES notation for (2S)-2-[(4S)-4-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]propanamide?
The canonical SMILES for (2S)-2-[(4S)-4-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]propanamide is C[C@@H](C(N)=O)N1CC[C@H](C(F)F)c2ccccc21.
What is the InChIKey of (2S)-2-[(4S)-4-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]propanamide?
The InChIKey is JLKUUFQYLPPERB-WPRPVWTQSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-8(13(16)18)17-7-6-10(12(14)15)9-4-2-3-5-11(9)17/h2-5,8,10,12H,6-7H2,1H3,(H2,16,18)/t8-,10-/m0/s1.
What are the key properties of (2S)-2-[(4S)-4-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]propanamide?
(2S)-2-[(4S)-4-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]propanamide has a molecular weight of 254.28 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4S)-4-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]propanamide is sourced from PubChem (CID 125478055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).