6-bromo-3-methoxy-4-(2-methyl-3-pyridinyl)-1H-quinolin-2-one

C16H13BrN2O2 — CID 166884559

IUPAC6-bromo-3-methoxy-4-(2-methyl-3-pyridinyl)-1H-quinolin-2-one
SMILESCOc1c(-c2cccnc2C)c2cc(Br)ccc2[nH]c1=O
InChIInChI=1S/C16H13BrN2O2/c1-9-11(4-3-7-18-9)14-12-8-10(17)5-6-13(12)19-16(20)15(14)21-2/h3-8H,1-2H3,(H,19,20)
InChIKeyOMMYDBSIJCZSIQ-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.67
Rot. Bonds2

About 6-bromo-3-methoxy-4-(2-methyl-3-pyridinyl)-1H-quinolin-2-one

6-bromo-3-methoxy-4-(2-methyl-3-pyridinyl)-1H-quinolin-2-one (PubChem CID 166884559) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is 6-bromo-3-methoxy-4-(2-methyl-3-pyridinyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-bromo-3-methoxy-4-(2-methyl-3-pyridinyl)-1H-quinolin-2-one
PubChem CID166884559
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name6-bromo-3-methoxy-4-(2-methyl-3-pyridinyl)-1H-quinolin-2-one
SMILESCOc1c(-c2cccnc2C)c2cc(Br)ccc2[nH]c1=O
InChIInChI=1S/C16H13BrN2O2/c1-9-11(4-3-7-18-9)14-12-8-10(17)5-6-13(12)19-16(20)15(14)21-2/h3-8H,1-2H3,(H,19,20)
InChIKeyOMMYDBSIJCZSIQ-UHFFFAOYSA-N
XLogP3.67
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methoxy-4-(2-methyl-3-pyridinyl)-1H-quinolin-2-one?
The IUPAC name of 6-bromo-3-methoxy-4-(2-methyl-3-pyridinyl)-1H-quinolin-2-one (CID 166884559) is 6-bromo-3-methoxy-4-(2-methyl-3-pyridinyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-bromo-3-methoxy-4-(2-methyl-3-pyridinyl)-1H-quinolin-2-one?
The canonical SMILES for 6-bromo-3-methoxy-4-(2-methyl-3-pyridinyl)-1H-quinolin-2-one is COc1c(-c2cccnc2C)c2cc(Br)ccc2[nH]c1=O.
What is the InChIKey of 6-bromo-3-methoxy-4-(2-methyl-3-pyridinyl)-1H-quinolin-2-one?
The InChIKey is OMMYDBSIJCZSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c1-9-11(4-3-7-18-9)14-12-8-10(17)5-6-13(12)19-16(20)15(14)21-2/h3-8H,1-2H3,(H,19,20).
What are the key properties of 6-bromo-3-methoxy-4-(2-methyl-3-pyridinyl)-1H-quinolin-2-one?
6-bromo-3-methoxy-4-(2-methyl-3-pyridinyl)-1H-quinolin-2-one has a molecular weight of 345.20 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-methoxy-4-(2-methyl-3-pyridinyl)-1H-quinolin-2-one is sourced from PubChem (CID 166884559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).