5,7-dimethoxy-3-pyridin-4-ylquinoline;dihydrochloride

C16H16Cl2N2O2 — CID 45073427

IUPAC5,7-dimethoxy-3-pyridin-4-ylquinoline;dihydrochloride
SMILESCOc1cc(OC)c2cc(-c3ccncc3)cnc2c1.Cl.Cl
InChIInChI=1S/C16H14N2O2.2ClH/c1-19-13-8-15-14(16(9-13)20-2)7-12(10-18-15)11-3-5-17-6-4-11;;/h3-10H,1-2H3;2*1H
InChIKeyYBBAOKYVJCNJIV-UHFFFAOYSA-N
MW339.22 g/mol
LogP4.16
Rot. Bonds3

About 5,7-dimethoxy-3-pyridin-4-ylquinoline;dihydrochloride

5,7-dimethoxy-3-pyridin-4-ylquinoline;dihydrochloride (PubChem CID 45073427) has the molecular formula C16H16Cl2N2O2 and a molecular weight of 339.22 g/mol. Its IUPAC name is 5,7-dimethoxy-3-pyridin-4-ylquinoline;dihydrochloride.

Molecular Properties

Compound Name5,7-dimethoxy-3-pyridin-4-ylquinoline;dihydrochloride
PubChem CID45073427
Molecular FormulaC16H16Cl2N2O2
Molecular Weight339.22 g/mol
Exact Mass338.06
IUPAC Name5,7-dimethoxy-3-pyridin-4-ylquinoline;dihydrochloride
SMILESCOc1cc(OC)c2cc(-c3ccncc3)cnc2c1.Cl.Cl
InChIInChI=1S/C16H14N2O2.2ClH/c1-19-13-8-15-14(16(9-13)20-2)7-12(10-18-15)11-3-5-17-6-4-11;;/h3-10H,1-2H3;2*1H
InChIKeyYBBAOKYVJCNJIV-UHFFFAOYSA-N
XLogP4.16
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-3-pyridin-4-ylquinoline;dihydrochloride?
The IUPAC name of 5,7-dimethoxy-3-pyridin-4-ylquinoline;dihydrochloride (CID 45073427) is 5,7-dimethoxy-3-pyridin-4-ylquinoline;dihydrochloride.
What is the SMILES notation for 5,7-dimethoxy-3-pyridin-4-ylquinoline;dihydrochloride?
The canonical SMILES for 5,7-dimethoxy-3-pyridin-4-ylquinoline;dihydrochloride is COc1cc(OC)c2cc(-c3ccncc3)cnc2c1.Cl.Cl.
What is the InChIKey of 5,7-dimethoxy-3-pyridin-4-ylquinoline;dihydrochloride?
The InChIKey is YBBAOKYVJCNJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2.2ClH/c1-19-13-8-15-14(16(9-13)20-2)7-12(10-18-15)11-3-5-17-6-4-11;;/h3-10H,1-2H3;2*1H.
What are the key properties of 5,7-dimethoxy-3-pyridin-4-ylquinoline;dihydrochloride?
5,7-dimethoxy-3-pyridin-4-ylquinoline;dihydrochloride has a molecular weight of 339.22 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-3-pyridin-4-ylquinoline;dihydrochloride is sourced from PubChem (CID 45073427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).