(3S,4R)-6-bromo-3-morpholin-4-yl-4-phenyl-3,4-dihydro-1H-quinolin-2-one

C19H19BrN2O2 — CID 1162856

IUPAC(3S,4R)-6-bromo-3-morpholin-4-yl-4-phenyl-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1Nc2ccc(Br)cc2[C@@H](c2ccccc2)[C@@H]1N1CCOCC1
InChIInChI=1S/C19H19BrN2O2/c20-14-6-7-16-15(12-14)17(13-4-2-1-3-5-13)18(19(23)21-16)22-8-10-24-11-9-22/h1-7,12,17-18H,8-11H2,(H,21,23)/t17-,18+/m1/s1
InChIKeyWHWWTEGYUVZTTB-MSOLQXFVSA-N
MW387.28 g/mol
LogP3.23
Rot. Bonds2

About (3S,4R)-6-bromo-3-morpholin-4-yl-4-phenyl-3,4-dihydro-1H-quinolin-2-one

(3S,4R)-6-bromo-3-morpholin-4-yl-4-phenyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 1162856) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is (3S,4R)-6-bromo-3-morpholin-4-yl-4-phenyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(3S,4R)-6-bromo-3-morpholin-4-yl-4-phenyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID1162856
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC Name(3S,4R)-6-bromo-3-morpholin-4-yl-4-phenyl-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1Nc2ccc(Br)cc2[C@@H](c2ccccc2)[C@@H]1N1CCOCC1
InChIInChI=1S/C19H19BrN2O2/c20-14-6-7-16-15(12-14)17(13-4-2-1-3-5-13)18(19(23)21-16)22-8-10-24-11-9-22/h1-7,12,17-18H,8-11H2,(H,21,23)/t17-,18+/m1/s1
InChIKeyWHWWTEGYUVZTTB-MSOLQXFVSA-N
XLogP3.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,4R)-6-bromo-3-morpholin-4-yl-4-phenyl-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

[(3S,4R)-6-bromo-2-oxo-4-phenyl-3,4-dihydro-1H-quinolin-3-yl]-diethylazanium
CID 7438739
3-(4-aminopiperidin-1-yl)-5-bromo-1,3-dihydroindol-2-one
CID 43130809
7-bromo-3-phenyl-3,4-dihydro-1H-quinoxalin-2-one
CID 79290898
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
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
3-bromo-6,7,11b,13-tetrahydroisoquinolino[2,1-a]quinoxalin-12-one
CID 79272071
(4S)-6-bromo-3-[(1-methylpiperidin-4-yl)methyl]-4-phenyl-1,4-dihydroquinazolin-2-one
CID 125499699
3-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 171985927
9-bromo-2,3,4,4a,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridin-5-one
CID 84642766
(5R)-7-bromo-4-(4-bromobenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 1111440

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-6-bromo-3-morpholin-4-yl-4-phenyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (3S,4R)-6-bromo-3-morpholin-4-yl-4-phenyl-3,4-dihydro-1H-quinolin-2-one (CID 1162856) is (3S,4R)-6-bromo-3-morpholin-4-yl-4-phenyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (3S,4R)-6-bromo-3-morpholin-4-yl-4-phenyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (3S,4R)-6-bromo-3-morpholin-4-yl-4-phenyl-3,4-dihydro-1H-quinolin-2-one is O=C1Nc2ccc(Br)cc2[C@@H](c2ccccc2)[C@@H]1N1CCOCC1.
What is the InChIKey of (3S,4R)-6-bromo-3-morpholin-4-yl-4-phenyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is WHWWTEGYUVZTTB-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c20-14-6-7-16-15(12-14)17(13-4-2-1-3-5-13)18(19(23)21-16)22-8-10-24-11-9-22/h1-7,12,17-18H,8-11H2,(H,21,23)/t17-,18+/m1/s1.
What are the key properties of (3S,4R)-6-bromo-3-morpholin-4-yl-4-phenyl-3,4-dihydro-1H-quinolin-2-one?
(3S,4R)-6-bromo-3-morpholin-4-yl-4-phenyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 387.28 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-6-bromo-3-morpholin-4-yl-4-phenyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 1162856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).