5-(2-bromoethenyl)-8-phenylmethoxy-1H-quinolin-2-one

C18H14BrNO2 — CID 150761308

IUPAC5-(2-bromoethenyl)-8-phenylmethoxy-1H-quinolin-2-one
SMILESO=c1ccc2c(C=CBr)ccc(OCc3ccccc3)c2[nH]1
InChIInChI=1S/C18H14BrNO2/c19-11-10-14-6-8-16(18-15(14)7-9-17(21)20-18)22-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,20,21)
InChIKeyJXWTWLXPRCVTDW-UHFFFAOYSA-N
MW356.22 g/mol
LogP4.47
Rot. Bonds4

About 5-(2-bromoethenyl)-8-phenylmethoxy-1H-quinolin-2-one

5-(2-bromoethenyl)-8-phenylmethoxy-1H-quinolin-2-one (PubChem CID 150761308) has the molecular formula C18H14BrNO2 and a molecular weight of 356.22 g/mol. Its IUPAC name is 5-(2-bromoethenyl)-8-phenylmethoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name5-(2-bromoethenyl)-8-phenylmethoxy-1H-quinolin-2-one
PubChem CID150761308
Molecular FormulaC18H14BrNO2
Molecular Weight356.22 g/mol
Exact Mass355.02
IUPAC Name5-(2-bromoethenyl)-8-phenylmethoxy-1H-quinolin-2-one
SMILESO=c1ccc2c(C=CBr)ccc(OCc3ccccc3)c2[nH]1
InChIInChI=1S/C18H14BrNO2/c19-11-10-14-6-8-16(18-15(14)7-9-17(21)20-18)22-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,20,21)
InChIKeyJXWTWLXPRCVTDW-UHFFFAOYSA-N
XLogP4.47
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-hydroxy-8-phenylmethoxy-1H-quinolin-2-one
CID 10400769
5-[(2R)-1-aminopropan-2-yl]-8-phenylmethoxy-1H-quinolin-2-one
CID 164875331
ethane;5-(oxiran-2-yl)-8-phenylmethoxy-1H-quinolin-2-one
CID 142244182
5-[(1R)-2-bromo-1-hydroxyethyl]-8-phenylmethoxy-1H-quinolin-2-one;5-[(1R)-2-bromo-1-propan-2-yloxyethyl]-8-phenylmethoxy-1H-quinolin-2-one
CID 159089444
5-[(1R)-2-azido-1-hydroxyethyl]-8-phenylmethoxy-1H-quinolin-2-one;5-[(1R)-2-bromo-1-hydroxyethyl]-8-phenylmethoxy-1H-quinolin-2-one
CID 159026503
5-[(2R)-1-[2-(4-methylphenyl)ethylamino]propan-2-yl]-8-phenylmethoxy-1H-quinolin-2-one
CID 143017414
5-[(1S)-2-[(6-fluoro-3-pyridinyl)amino]-1-hydroxyethyl]-8-phenylmethoxy-1H-quinolin-2-one
CID 166524122
5-[2-[(2R)-1-(4-methoxyphenyl)propan-2-yl]iminoacetyl]-8-phenylmethoxy-1H-quinolin-2-one
CID 54051299
5-acetyl-8-[(4-fluorophenyl)methoxy]-1H-quinolin-2-one
CID 66545165
8-phenylmethoxy-1H-pyrido[2,3-b]pyrazin-2-one
CID 68606557
5-[(1R)-2-[(4,7-dimethoxy-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-phenylmethoxy-1H-quinolin-2-one
CID 11386205
5-[(1R)-2-[(2-benzylcyclopentyl)amino]-1-hydroxyethyl]-8-phenylmethoxy-1H-quinolin-2-one
CID 69039761

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromoethenyl)-8-phenylmethoxy-1H-quinolin-2-one?
The IUPAC name of 5-(2-bromoethenyl)-8-phenylmethoxy-1H-quinolin-2-one (CID 150761308) is 5-(2-bromoethenyl)-8-phenylmethoxy-1H-quinolin-2-one.
What is the SMILES notation for 5-(2-bromoethenyl)-8-phenylmethoxy-1H-quinolin-2-one?
The canonical SMILES for 5-(2-bromoethenyl)-8-phenylmethoxy-1H-quinolin-2-one is O=c1ccc2c(C=CBr)ccc(OCc3ccccc3)c2[nH]1.
What is the InChIKey of 5-(2-bromoethenyl)-8-phenylmethoxy-1H-quinolin-2-one?
The InChIKey is JXWTWLXPRCVTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNO2/c19-11-10-14-6-8-16(18-15(14)7-9-17(21)20-18)22-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,20,21).
What are the key properties of 5-(2-bromoethenyl)-8-phenylmethoxy-1H-quinolin-2-one?
5-(2-bromoethenyl)-8-phenylmethoxy-1H-quinolin-2-one has a molecular weight of 356.22 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromoethenyl)-8-phenylmethoxy-1H-quinolin-2-one is sourced from PubChem (CID 150761308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).