diethyl-[(3S,4R)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-quinolin-3-yl]azanium

C20H25N2O+ — CID 6943841

IUPACdiethyl-[(3S,4R)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-quinolin-3-yl]azanium
SMILESCC[NH+](CC)[C@@H]1C(=O)Nc2ccc(C)cc2[C@H]1c1ccccc1
InChIInChI=1S/C20H24N2O/c1-4-22(5-2)19-18(15-9-7-6-8-10-15)16-13-14(3)11-12-17(16)21-20(19)23/h6-13,18-19H,4-5H2,1-3H3,(H,21,23)/p+1/t18-,19+/m1/s1
InChIKeyOEGOERCGICFUBB-MOPGFXCFSA-O
MW309.43 g/mol
LogP2.37
Rot. Bonds4

About diethyl-[(3S,4R)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-quinolin-3-yl]azanium

diethyl-[(3S,4R)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-quinolin-3-yl]azanium (PubChem CID 6943841) has the molecular formula C20H25N2O+ and a molecular weight of 309.43 g/mol. Its IUPAC name is diethyl-[(3S,4R)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-quinolin-3-yl]azanium.

Molecular Properties

Compound Namediethyl-[(3S,4R)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-quinolin-3-yl]azanium
PubChem CID6943841
Molecular FormulaC20H25N2O+
Molecular Weight309.43 g/mol
Exact Mass309.20
IUPAC Namediethyl-[(3S,4R)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-quinolin-3-yl]azanium
SMILESCC[NH+](CC)[C@@H]1C(=O)Nc2ccc(C)cc2[C@H]1c1ccccc1
InChIInChI=1S/C20H24N2O/c1-4-22(5-2)19-18(15-9-7-6-8-10-15)16-13-14(3)11-12-17(16)21-20(19)23/h6-13,18-19H,4-5H2,1-3H3,(H,21,23)/p+1/t18-,19+/m1/s1
InChIKeyOEGOERCGICFUBB-MOPGFXCFSA-O
XLogP2.37
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze diethyl-[(3S,4R)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-quinolin-3-yl]azanium 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

[(3S,4R)-6-bromo-2-oxo-4-phenyl-3,4-dihydro-1H-quinolin-3-yl]-diethylazanium
CID 7438739
(2R,3R)-5-methyl-2,3-diphenyl-2,3-dihydro-1H-indole
CID 7057699
(5S)-7-methyl-5-phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
CID 766518
5-methyl-3-(2-phenylethylamino)-1,3-dihydroindol-2-one
CID 43194106
3-(1-benzofuran-2-ylmethyl)-5-methyl-1,3-dihydroindol-2-one
CID 53044232
5-methyl-2-methylidene-3-phenyl-1,3-dihydroindole
CID 156800165
(3S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 26367241
ethane;5-methyl-2-methylidene-3-phenyl-1,3-dihydroindole
CID 156800164
(3R)-3-[(4-ethoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 51539527
3-[methyl-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)amino]benzoic acid
CID 91579104
(2S)-2-amino-3-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)propanamide
CID 166893790
(3R)-3-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1,3-dihydroindol-2-one
CID 26367502

Frequently Asked Questions

What is the IUPAC name of diethyl-[(3S,4R)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-quinolin-3-yl]azanium?
The IUPAC name of diethyl-[(3S,4R)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-quinolin-3-yl]azanium (CID 6943841) is diethyl-[(3S,4R)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-quinolin-3-yl]azanium.
What is the SMILES notation for diethyl-[(3S,4R)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-quinolin-3-yl]azanium?
The canonical SMILES for diethyl-[(3S,4R)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-quinolin-3-yl]azanium is CC[NH+](CC)[C@@H]1C(=O)Nc2ccc(C)cc2[C@H]1c1ccccc1.
What is the InChIKey of diethyl-[(3S,4R)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-quinolin-3-yl]azanium?
The InChIKey is OEGOERCGICFUBB-MOPGFXCFSA-O. The full InChI is InChI=1S/C20H24N2O/c1-4-22(5-2)19-18(15-9-7-6-8-10-15)16-13-14(3)11-12-17(16)21-20(19)23/h6-13,18-19H,4-5H2,1-3H3,(H,21,23)/p+1/t18-,19+/m1/s1.
What are the key properties of diethyl-[(3S,4R)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-quinolin-3-yl]azanium?
diethyl-[(3S,4R)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-quinolin-3-yl]azanium has a molecular weight of 309.43 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[(3S,4R)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-quinolin-3-yl]azanium is sourced from PubChem (CID 6943841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).