3,5-dibromo-8-methoxy-2-pyridin-3-ylquinoline

C15H10Br2N2O — CID 70078801

IUPAC3,5-dibromo-8-methoxy-2-pyridin-3-ylquinoline
SMILESCOc1ccc(Br)c2cc(Br)c(-c3cccnc3)nc12
InChIInChI=1S/C15H10Br2N2O/c1-20-13-5-4-11(16)10-7-12(17)14(19-15(10)13)9-3-2-6-18-8-9/h2-8H,1H3
InChIKeyLJUFXTAMBBXYQJ-UHFFFAOYSA-N
MW394.07 g/mol
LogP4.83
Rot. Bonds2

About 3,5-dibromo-8-methoxy-2-pyridin-3-ylquinoline

3,5-dibromo-8-methoxy-2-pyridin-3-ylquinoline (PubChem CID 70078801) has the molecular formula C15H10Br2N2O and a molecular weight of 394.07 g/mol. Its IUPAC name is 3,5-dibromo-8-methoxy-2-pyridin-3-ylquinoline.

Molecular Properties

Compound Name3,5-dibromo-8-methoxy-2-pyridin-3-ylquinoline
PubChem CID70078801
Molecular FormulaC15H10Br2N2O
Molecular Weight394.07 g/mol
Exact Mass391.92
IUPAC Name3,5-dibromo-8-methoxy-2-pyridin-3-ylquinoline
SMILESCOc1ccc(Br)c2cc(Br)c(-c3cccnc3)nc12
InChIInChI=1S/C15H10Br2N2O/c1-20-13-5-4-11(16)10-7-12(17)14(19-15(10)13)9-3-2-6-18-8-9/h2-8H,1H3
InChIKeyLJUFXTAMBBXYQJ-UHFFFAOYSA-N
XLogP4.83
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.07
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-8-methoxy-2-pyridin-3-ylquinoline?
The IUPAC name of 3,5-dibromo-8-methoxy-2-pyridin-3-ylquinoline (CID 70078801) is 3,5-dibromo-8-methoxy-2-pyridin-3-ylquinoline.
What is the SMILES notation for 3,5-dibromo-8-methoxy-2-pyridin-3-ylquinoline?
The canonical SMILES for 3,5-dibromo-8-methoxy-2-pyridin-3-ylquinoline is COc1ccc(Br)c2cc(Br)c(-c3cccnc3)nc12.
What is the InChIKey of 3,5-dibromo-8-methoxy-2-pyridin-3-ylquinoline?
The InChIKey is LJUFXTAMBBXYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2N2O/c1-20-13-5-4-11(16)10-7-12(17)14(19-15(10)13)9-3-2-6-18-8-9/h2-8H,1H3.
What are the key properties of 3,5-dibromo-8-methoxy-2-pyridin-3-ylquinoline?
3,5-dibromo-8-methoxy-2-pyridin-3-ylquinoline has a molecular weight of 394.07 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-8-methoxy-2-pyridin-3-ylquinoline is sourced from PubChem (CID 70078801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).