5-bromo-8-methoxy-2-pyridin-3-ylquinoline

C15H11BrN2O — CID 18979081

IUPAC5-bromo-8-methoxy-2-pyridin-3-ylquinoline
SMILESCOc1ccc(Br)c2ccc(-c3cccnc3)nc12
InChIInChI=1S/C15H11BrN2O/c1-19-14-7-5-12(16)11-4-6-13(18-15(11)14)10-3-2-8-17-9-10/h2-9H,1H3
InChIKeyZTRASFSJIYYWTC-UHFFFAOYSA-N
MW315.17 g/mol
LogP4.07
Rot. Bonds2

About 5-bromo-8-methoxy-2-pyridin-3-ylquinoline

5-bromo-8-methoxy-2-pyridin-3-ylquinoline (PubChem CID 18979081) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 5-bromo-8-methoxy-2-pyridin-3-ylquinoline.

Molecular Properties

Compound Name5-bromo-8-methoxy-2-pyridin-3-ylquinoline
PubChem CID18979081
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name5-bromo-8-methoxy-2-pyridin-3-ylquinoline
SMILESCOc1ccc(Br)c2ccc(-c3cccnc3)nc12
InChIInChI=1S/C15H11BrN2O/c1-19-14-7-5-12(16)11-4-6-13(18-15(11)14)10-3-2-8-17-9-10/h2-9H,1H3
InChIKeyZTRASFSJIYYWTC-UHFFFAOYSA-N
XLogP4.07
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-methoxy-2-pyridin-3-ylquinoline?
The IUPAC name of 5-bromo-8-methoxy-2-pyridin-3-ylquinoline (CID 18979081) is 5-bromo-8-methoxy-2-pyridin-3-ylquinoline.
What is the SMILES notation for 5-bromo-8-methoxy-2-pyridin-3-ylquinoline?
The canonical SMILES for 5-bromo-8-methoxy-2-pyridin-3-ylquinoline is COc1ccc(Br)c2ccc(-c3cccnc3)nc12.
What is the InChIKey of 5-bromo-8-methoxy-2-pyridin-3-ylquinoline?
The InChIKey is ZTRASFSJIYYWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c1-19-14-7-5-12(16)11-4-6-13(18-15(11)14)10-3-2-8-17-9-10/h2-9H,1H3.
What are the key properties of 5-bromo-8-methoxy-2-pyridin-3-ylquinoline?
5-bromo-8-methoxy-2-pyridin-3-ylquinoline has a molecular weight of 315.17 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-methoxy-2-pyridin-3-ylquinoline is sourced from PubChem (CID 18979081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).