8-bromo-7-fluoro-5-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one

C16H13BrFNO2 — CID 118904303

IUPAC8-bromo-7-fluoro-5-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(OCc3ccccc3)cc(F)c(Br)c2N1
InChIInChI=1S/C16H13BrFNO2/c17-15-12(18)8-13(11-6-7-14(20)19-16(11)15)21-9-10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H,19,20)
InChIKeyAXNIPNSGNSFJKL-UHFFFAOYSA-N
MW350.19 g/mol
LogP4.05
Rot. Bonds3

About 8-bromo-7-fluoro-5-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one

8-bromo-7-fluoro-5-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 118904303) has the molecular formula C16H13BrFNO2 and a molecular weight of 350.19 g/mol. Its IUPAC name is 8-bromo-7-fluoro-5-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-bromo-7-fluoro-5-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID118904303
Molecular FormulaC16H13BrFNO2
Molecular Weight350.19 g/mol
Exact Mass349.01
IUPAC Name8-bromo-7-fluoro-5-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(OCc3ccccc3)cc(F)c(Br)c2N1
InChIInChI=1S/C16H13BrFNO2/c17-15-12(18)8-13(11-6-7-14(20)19-16(11)15)21-9-10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H,19,20)
InChIKeyAXNIPNSGNSFJKL-UHFFFAOYSA-N
XLogP4.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.19
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-8-fluoro-6-phenylmethoxy-3,4-dihydro-1H-naphthalen-2-one
CID 155103539
4,5-difluoro-2-phenylmethoxybenzaldehyde
CID 129164784
6-bromo-4-(2-phenylmethoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 3448734
6-bromo-8-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one;6-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one
CID 161223377
1-(2-bromo-3-chloro-4-fluoro-6-phenylmethoxyphenyl)ethanone
CID 157299083
2-(5-bromo-4-fluoro-2-phenylmethoxyphenyl)-1,3-dioxole
CID 178077173
2-bromo-6-fluoro-3-phenylmethoxybenzoic acid
CID 155293763
4-[(6-bromo-2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzoic acid
CID 59316609
1-bromo-5-fluoro-4-methyl-2-phenylmethoxybenzene
CID 164894745
4-[4-(4-bromophenyl)phenyl]-2-fluoro-1-phenylmethoxybenzene
CID 54061452
3-bromo-1,6-dimethyl-4-phenylmethoxypyridin-2-one
CID 169449042
3-[(5-bromo-2-fluoro-4-phenylmethoxyphenyl)methyl]bicyclo[4.2.0]octa-1(6),2,4-triene
CID 134498468

Frequently Asked Questions

What is the IUPAC name of 8-bromo-7-fluoro-5-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 8-bromo-7-fluoro-5-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one (CID 118904303) is 8-bromo-7-fluoro-5-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 8-bromo-7-fluoro-5-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 8-bromo-7-fluoro-5-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2c(OCc3ccccc3)cc(F)c(Br)c2N1.
What is the InChIKey of 8-bromo-7-fluoro-5-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is AXNIPNSGNSFJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFNO2/c17-15-12(18)8-13(11-6-7-14(20)19-16(11)15)21-9-10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H,19,20).
What are the key properties of 8-bromo-7-fluoro-5-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one?
8-bromo-7-fluoro-5-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 350.19 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-7-fluoro-5-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 118904303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).