6,8-dibromo-2-(difluoromethyl)-5-methoxy-1H-quinolin-4-one

C11H7Br2F2NO2 — CID 103416536

IUPAC6,8-dibromo-2-(difluoromethyl)-5-methoxy-1H-quinolin-4-one
SMILESCOc1c(Br)cc(Br)c2[nH]c(C(F)F)cc(=O)c12
InChIInChI=1S/C11H7Br2F2NO2/c1-18-10-5(13)2-4(12)9-8(10)7(17)3-6(16-9)11(14)15/h2-3,11H,1H3,(H,16,17)
InChIKeyHEGZWMZQEZZJDK-UHFFFAOYSA-N
MW382.99 g/mol
LogP4.00
Rot. Bonds2

About 6,8-dibromo-2-(difluoromethyl)-5-methoxy-1H-quinolin-4-one

6,8-dibromo-2-(difluoromethyl)-5-methoxy-1H-quinolin-4-one (PubChem CID 103416536) has the molecular formula C11H7Br2F2NO2 and a molecular weight of 382.99 g/mol. Its IUPAC name is 6,8-dibromo-2-(difluoromethyl)-5-methoxy-1H-quinolin-4-one.

Molecular Properties

Compound Name6,8-dibromo-2-(difluoromethyl)-5-methoxy-1H-quinolin-4-one
PubChem CID103416536
Molecular FormulaC11H7Br2F2NO2
Molecular Weight382.99 g/mol
Exact Mass380.88
IUPAC Name6,8-dibromo-2-(difluoromethyl)-5-methoxy-1H-quinolin-4-one
SMILESCOc1c(Br)cc(Br)c2[nH]c(C(F)F)cc(=O)c12
InChIInChI=1S/C11H7Br2F2NO2/c1-18-10-5(13)2-4(12)9-8(10)7(17)3-6(16-9)11(14)15/h2-3,11H,1H3,(H,16,17)
InChIKeyHEGZWMZQEZZJDK-UHFFFAOYSA-N
XLogP4.00
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.99
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-bromo-2-(difluoromethyl)-5-fluoro-1H-quinolin-4-one
CID 107628086
2-(difluoromethyl)-8-methoxy-5-methyl-1H-quinolin-4-one
CID 55127526
6-(difluoromethyl)-3-methoxy-4-oxo-1H-pyridine-2-carboxylic acid
CID 130083473
3-chloro-6-(difluoromethyl)-2-methoxy-1H-pyridin-4-one
CID 130072304
2-bromo-6-(difluoromethyl)-3-methyl-1H-pyridin-4-one
CID 119002782
4-amino-6-(difluoromethyl)-3-methoxy-1H-pyridin-2-one
CID 118812209
8-bromo-6-fluoro-4-hydroxy-5-methoxy-1H-quinolin-2-one
CID 169256273
6,8-dibromo-5-methoxy-4-oxo-1H-quinoline-3-carbonitrile
CID 103414597
7-chloro-2-(difluoromethyl)-8-methyl-1H-quinolin-4-one
CID 62891407
methyl 6-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylate
CID 133103363
2-(difluoromethyl)-5,7-dimethyl-1H-quinolin-4-one
CID 62892262
5,7-dibromo-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one
CID 10641823

Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-2-(difluoromethyl)-5-methoxy-1H-quinolin-4-one?
The IUPAC name of 6,8-dibromo-2-(difluoromethyl)-5-methoxy-1H-quinolin-4-one (CID 103416536) is 6,8-dibromo-2-(difluoromethyl)-5-methoxy-1H-quinolin-4-one.
What is the SMILES notation for 6,8-dibromo-2-(difluoromethyl)-5-methoxy-1H-quinolin-4-one?
The canonical SMILES for 6,8-dibromo-2-(difluoromethyl)-5-methoxy-1H-quinolin-4-one is COc1c(Br)cc(Br)c2[nH]c(C(F)F)cc(=O)c12.
What is the InChIKey of 6,8-dibromo-2-(difluoromethyl)-5-methoxy-1H-quinolin-4-one?
The InChIKey is HEGZWMZQEZZJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2F2NO2/c1-18-10-5(13)2-4(12)9-8(10)7(17)3-6(16-9)11(14)15/h2-3,11H,1H3,(H,16,17).
What are the key properties of 6,8-dibromo-2-(difluoromethyl)-5-methoxy-1H-quinolin-4-one?
6,8-dibromo-2-(difluoromethyl)-5-methoxy-1H-quinolin-4-one has a molecular weight of 382.99 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-2-(difluoromethyl)-5-methoxy-1H-quinolin-4-one is sourced from PubChem (CID 103416536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).