6-bromo-4-phenyl-3,4-dihydro-1H-quinolin-2-one;ethane

C17H18BrNO — CID 91416238

IUPAC6-bromo-4-phenyl-3,4-dihydro-1H-quinolin-2-one;ethane
SMILESCC.O=C1CC(c2ccccc2)c2cc(Br)ccc2N1
InChIInChI=1S/C15H12BrNO.C2H6/c16-11-6-7-14-13(8-11)12(9-15(18)17-14)10-4-2-1-3-5-10;1-2/h1-8,12H,9H2,(H,17,18);1-2H3
InChIKeyPVBDGLYILWMNBW-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.95
Rot. Bonds1

About 6-bromo-4-phenyl-3,4-dihydro-1H-quinolin-2-one;ethane

6-bromo-4-phenyl-3,4-dihydro-1H-quinolin-2-one;ethane (PubChem CID 91416238) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 6-bromo-4-phenyl-3,4-dihydro-1H-quinolin-2-one;ethane.

Molecular Properties

Compound Name6-bromo-4-phenyl-3,4-dihydro-1H-quinolin-2-one;ethane
PubChem CID91416238
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name6-bromo-4-phenyl-3,4-dihydro-1H-quinolin-2-one;ethane
SMILESCC.O=C1CC(c2ccccc2)c2cc(Br)ccc2N1
InChIInChI=1S/C15H12BrNO.C2H6/c16-11-6-7-14-13(8-11)12(9-15(18)17-14)10-4-2-1-3-5-10;1-2/h1-8,12H,9H2,(H,17,18);1-2H3
InChIKeyPVBDGLYILWMNBW-UHFFFAOYSA-N
XLogP4.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-benzoyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one;ethane
CID 91498028
6,7-dimethoxy-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 6624972
7-methyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 105499107
5-bromo-3-phenyl-2,3-dihydro-1H-indole
CID 177342618
(9R)-9-(3-bromophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 1094693
(8S)-8-phenyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 1252620
ethane;(3R)-3-phenylpyrrolidine-2,5-dione
CID 91585654
(1R)-1-(5-bromo-2-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 1169303
6-[3-(dimethylamino)propoxy]-4-phenyl-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 131710541
7-bromo-5-phenyl-4-propyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 122635762
(5S)-7-bromo-4-ethylsulfonyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 7046070
(4R)-4-(5-bromo-2-fluorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 704724

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-phenyl-3,4-dihydro-1H-quinolin-2-one;ethane?
The IUPAC name of 6-bromo-4-phenyl-3,4-dihydro-1H-quinolin-2-one;ethane (CID 91416238) is 6-bromo-4-phenyl-3,4-dihydro-1H-quinolin-2-one;ethane.
What is the SMILES notation for 6-bromo-4-phenyl-3,4-dihydro-1H-quinolin-2-one;ethane?
The canonical SMILES for 6-bromo-4-phenyl-3,4-dihydro-1H-quinolin-2-one;ethane is CC.O=C1CC(c2ccccc2)c2cc(Br)ccc2N1.
What is the InChIKey of 6-bromo-4-phenyl-3,4-dihydro-1H-quinolin-2-one;ethane?
The InChIKey is PVBDGLYILWMNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO.C2H6/c16-11-6-7-14-13(8-11)12(9-15(18)17-14)10-4-2-1-3-5-10;1-2/h1-8,12H,9H2,(H,17,18);1-2H3.
What are the key properties of 6-bromo-4-phenyl-3,4-dihydro-1H-quinolin-2-one;ethane?
6-bromo-4-phenyl-3,4-dihydro-1H-quinolin-2-one;ethane has a molecular weight of 332.24 g/mol, XLogP of 4.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-phenyl-3,4-dihydro-1H-quinolin-2-one;ethane is sourced from PubChem (CID 91416238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).