[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium

C22H27N2O+ — CID 9440585

IUPAC[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
SMILESC[C@@H]([NH2+][C@@H]1CCCc2ccccc21)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C22H26N2O/c1-16(23-20-13-6-10-17-8-2-4-12-19(17)20)22(25)24-15-7-11-18-9-3-5-14-21(18)24/h2-5,8-9,12,14,16,20,23H,6-7,10-11,13,15H2,1H3/p+1/t16-,20-/m1/s1
InChIKeyGSANSHMHDXCJMM-OXQOHEQNSA-O
MW335.47 g/mol
LogP3.00
Rot. Bonds3

About [(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium

[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium (PubChem CID 9440585) has the molecular formula C22H27N2O+ and a molecular weight of 335.47 g/mol. Its IUPAC name is [(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium.

Molecular Properties

Compound Name[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
PubChem CID9440585
Molecular FormulaC22H27N2O+
Molecular Weight335.47 g/mol
Exact Mass335.21
IUPAC Name[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
SMILESC[C@@H]([NH2+][C@@H]1CCCc2ccccc21)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C22H26N2O/c1-16(23-20-13-6-10-17-8-2-4-12-19(17)20)22(25)24-15-7-11-18-9-3-5-14-21(18)24/h2-5,8-9,12,14,16,20,23H,6-7,10-11,13,15H2,1H3/p+1/t16-,20-/m1/s1
InChIKeyGSANSHMHDXCJMM-OXQOHEQNSA-O
XLogP3.00
TPSA36.92 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium with MolForge

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Launch Full Analysis

Related Compounds

2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 3271608
(2S)-1-(2,3-dihydroindol-1-yl)-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-1-one
CID 2447407
[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]carbamic acid
CID 70362593
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one
CID 78786405
[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-[(4-sulfamoylphenyl)methyl]azanium
CID 2438564
(2S)-2-amino-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propan-1-one;hydrochloride
CID 119294288
1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenoxypropan-1-one
CID 2904377
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]urea
CID 47097542
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 3242452
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenoxy)propan-1-one
CID 2976581
1,3-bis(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpropane-1,3-dione
CID 3397137
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 8008447

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The IUPAC name of [(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium (CID 9440585) is [(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium.
What is the SMILES notation for [(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The canonical SMILES for [(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium is C[C@@H]([NH2+][C@@H]1CCCc2ccccc21)C(=O)N1CCCc2ccccc21.
What is the InChIKey of [(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The InChIKey is GSANSHMHDXCJMM-OXQOHEQNSA-O. The full InChI is InChI=1S/C22H26N2O/c1-16(23-20-13-6-10-17-8-2-4-12-19(17)20)22(25)24-15-7-11-18-9-3-5-14-21(18)24/h2-5,8-9,12,14,16,20,23H,6-7,10-11,13,15H2,1H3/p+1/t16-,20-/m1/s1.
What are the key properties of [(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium has a molecular weight of 335.47 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium is sourced from PubChem (CID 9440585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).