[(3S,4R)-6-bromo-2-oxo-4-phenyl-3,4-dihydro-1H-quinolin-3-yl]-diethylazanium

C19H22BrN2O+ — CID 7438739

IUPAC[(3S,4R)-6-bromo-2-oxo-4-phenyl-3,4-dihydro-1H-quinolin-3-yl]-diethylazanium
SMILESCC[NH+](CC)[C@@H]1C(=O)Nc2ccc(Br)cc2[C@H]1c1ccccc1
InChIInChI=1S/C19H21BrN2O/c1-3-22(4-2)18-17(13-8-6-5-7-9-13)15-12-14(20)10-11-16(15)21-19(18)23/h5-12,17-18H,3-4H2,1-2H3,(H,21,23)/p+1/t17-,18+/m1/s1
InChIKeyMYGZWJVNHGJGID-MSOLQXFVSA-O
MW374.30 g/mol
LogP2.83
Rot. Bonds4

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

[(3S,4R)-6-bromo-2-oxo-4-phenyl-3,4-dihydro-1H-quinolin-3-yl]-diethylazanium (PubChem CID 7438739) has the molecular formula C19H22BrN2O+ and a molecular weight of 374.30 g/mol. Its IUPAC name is [(3S,4R)-6-bromo-2-oxo-4-phenyl-3,4-dihydro-1H-quinolin-3-yl]-diethylazanium.

Molecular Properties

Compound Name[(3S,4R)-6-bromo-2-oxo-4-phenyl-3,4-dihydro-1H-quinolin-3-yl]-diethylazanium
PubChem CID7438739
Molecular FormulaC19H22BrN2O+
Molecular Weight374.30 g/mol
Exact Mass373.09
IUPAC Name[(3S,4R)-6-bromo-2-oxo-4-phenyl-3,4-dihydro-1H-quinolin-3-yl]-diethylazanium
SMILESCC[NH+](CC)[C@@H]1C(=O)Nc2ccc(Br)cc2[C@H]1c1ccccc1
InChIInChI=1S/C19H21BrN2O/c1-3-22(4-2)18-17(13-8-6-5-7-9-13)15-12-14(20)10-11-16(15)21-19(18)23/h5-12,17-18H,3-4H2,1-2H3,(H,21,23)/p+1/t17-,18+/m1/s1
InChIKeyMYGZWJVNHGJGID-MSOLQXFVSA-O
XLogP2.83
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.30
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [(3S,4R)-6-bromo-2-oxo-4-phenyl-3,4-dihydro-1H-quinolin-3-yl]-diethylazanium with MolForge

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Related Compounds

diethyl-[(3S,4R)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-quinolin-3-yl]azanium
CID 6943841
(3S,4R)-6-bromo-3-morpholin-4-yl-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 1162856
5-bromo-3-nonyl-1,3-dihydroindol-2-one
CID 106987050
6-bromo-4-phenyl-3,4-dihydro-1H-quinolin-2-one;ethane
CID 91416238
7-bromo-5-phenyl-4-propyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 122635762
7-bromo-3-phenyl-3,4-dihydro-1H-quinoxalin-2-one
CID 79290898
(3S)-5-bromo-3-[(2-fluorophenyl)methyl]-1,3-dihydroindol-2-one
CID 7379394
5-bromo-3-(4-tert-butylcyclohexyl)-1,3-dihydroindol-2-one
CID 106986932
(3S)-5-bromo-3-hydroxy-1,3-dihydroindol-2-one
CID 714172
(5S)-7-bromo-4-ethylsulfonyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 7046070
(3S)-5-bromo-3-[(2-butoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 40784158
5-bromo-3-(butan-2-ylamino)-1,3-dihydroindol-2-one
CID 43190207

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-6-bromo-2-oxo-4-phenyl-3,4-dihydro-1H-quinolin-3-yl]-diethylazanium?
The IUPAC name of [(3S,4R)-6-bromo-2-oxo-4-phenyl-3,4-dihydro-1H-quinolin-3-yl]-diethylazanium (CID 7438739) is [(3S,4R)-6-bromo-2-oxo-4-phenyl-3,4-dihydro-1H-quinolin-3-yl]-diethylazanium.
What is the SMILES notation for [(3S,4R)-6-bromo-2-oxo-4-phenyl-3,4-dihydro-1H-quinolin-3-yl]-diethylazanium?
The canonical SMILES for [(3S,4R)-6-bromo-2-oxo-4-phenyl-3,4-dihydro-1H-quinolin-3-yl]-diethylazanium is CC[NH+](CC)[C@@H]1C(=O)Nc2ccc(Br)cc2[C@H]1c1ccccc1.
What is the InChIKey of [(3S,4R)-6-bromo-2-oxo-4-phenyl-3,4-dihydro-1H-quinolin-3-yl]-diethylazanium?
The InChIKey is MYGZWJVNHGJGID-MSOLQXFVSA-O. The full InChI is InChI=1S/C19H21BrN2O/c1-3-22(4-2)18-17(13-8-6-5-7-9-13)15-12-14(20)10-11-16(15)21-19(18)23/h5-12,17-18H,3-4H2,1-2H3,(H,21,23)/p+1/t17-,18+/m1/s1.
What are the key properties of [(3S,4R)-6-bromo-2-oxo-4-phenyl-3,4-dihydro-1H-quinolin-3-yl]-diethylazanium?
[(3S,4R)-6-bromo-2-oxo-4-phenyl-3,4-dihydro-1H-quinolin-3-yl]-diethylazanium has a molecular weight of 374.30 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-6-bromo-2-oxo-4-phenyl-3,4-dihydro-1H-quinolin-3-yl]-diethylazanium is sourced from PubChem (CID 7438739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).