6-bromo-7-cyclopentyloxy-3,4-dihydro-1H-quinolin-2-one

C14H16BrNO2 — CID 66560028

IUPAC6-bromo-7-cyclopentyloxy-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Br)c(OC3CCCC3)cc2N1
InChIInChI=1S/C14H16BrNO2/c15-11-7-9-5-6-14(17)16-12(9)8-13(11)18-10-3-1-2-4-10/h7-8,10H,1-6H2,(H,16,17)
InChIKeyZMLKEBSMSIFPAF-UHFFFAOYSA-N
MW310.19 g/mol
LogP3.66
Rot. Bonds2

About 6-bromo-7-cyclopentyloxy-3,4-dihydro-1H-quinolin-2-one

6-bromo-7-cyclopentyloxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 66560028) has the molecular formula C14H16BrNO2 and a molecular weight of 310.19 g/mol. Its IUPAC name is 6-bromo-7-cyclopentyloxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-bromo-7-cyclopentyloxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID66560028
Molecular FormulaC14H16BrNO2
Molecular Weight310.19 g/mol
Exact Mass309.04
IUPAC Name6-bromo-7-cyclopentyloxy-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Br)c(OC3CCCC3)cc2N1
InChIInChI=1S/C14H16BrNO2/c15-11-7-9-5-6-14(17)16-12(9)8-13(11)18-10-3-1-2-4-10/h7-8,10H,1-6H2,(H,16,17)
InChIKeyZMLKEBSMSIFPAF-UHFFFAOYSA-N
XLogP3.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-7-ethoxy-3,4-dihydro-1H-quinolin-2-one
CID 66560026
7-cycloheptyloxy-3,4-dihydro-1H-quinolin-2-one
CID 114940056
6-amino-7-(1-methylpiperidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 61283217
6-bromo-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457689
6-amino-7-bromo-3,4-dihydro-1H-quinolin-2-one
CID 117209588
6-bromo-7-(4-methoxypiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 86962368
4-[(6-bromo-2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzoic acid
CID 59316609
7-amino-6-(2-ethylcyclohexyl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 43449975
6-(cyclohexylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 43427172
6-[(1S,2S)-2-hydroxycyclopentyl]oxy-3,4-dihydro-1H-quinolin-2-one
CID 93346628
6-[bromo(cycloheptyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 63442796
6-amino-7-(2-cyclopropylethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 106199650

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-cyclopentyloxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-bromo-7-cyclopentyloxy-3,4-dihydro-1H-quinolin-2-one (CID 66560028) is 6-bromo-7-cyclopentyloxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-bromo-7-cyclopentyloxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-bromo-7-cyclopentyloxy-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(Br)c(OC3CCCC3)cc2N1.
What is the InChIKey of 6-bromo-7-cyclopentyloxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ZMLKEBSMSIFPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2/c15-11-7-9-5-6-14(17)16-12(9)8-13(11)18-10-3-1-2-4-10/h7-8,10H,1-6H2,(H,16,17).
What are the key properties of 6-bromo-7-cyclopentyloxy-3,4-dihydro-1H-quinolin-2-one?
6-bromo-7-cyclopentyloxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 310.19 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-cyclopentyloxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 66560028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).