4,6-dichloro-7-methoxy-3-methyl-2-pyridin-2-ylquinoline

C16H12Cl2N2O — CID 59631212

IUPAC4,6-dichloro-7-methoxy-3-methyl-2-pyridin-2-ylquinoline
SMILESCOc1cc2nc(-c3ccccn3)c(C)c(Cl)c2cc1Cl
InChIInChI=1S/C16H12Cl2N2O/c1-9-15(18)10-7-11(17)14(21-2)8-13(10)20-16(9)12-5-3-4-6-19-12/h3-8H,1-2H3
InChIKeyDRUHOIQFKHDGEJ-UHFFFAOYSA-N
MW319.19 g/mol
LogP4.92
Rot. Bonds2

About 4,6-dichloro-7-methoxy-3-methyl-2-pyridin-2-ylquinoline

4,6-dichloro-7-methoxy-3-methyl-2-pyridin-2-ylquinoline (PubChem CID 59631212) has the molecular formula C16H12Cl2N2O and a molecular weight of 319.19 g/mol. Its IUPAC name is 4,6-dichloro-7-methoxy-3-methyl-2-pyridin-2-ylquinoline.

Molecular Properties

Compound Name4,6-dichloro-7-methoxy-3-methyl-2-pyridin-2-ylquinoline
PubChem CID59631212
Molecular FormulaC16H12Cl2N2O
Molecular Weight319.19 g/mol
Exact Mass318.03
IUPAC Name4,6-dichloro-7-methoxy-3-methyl-2-pyridin-2-ylquinoline
SMILESCOc1cc2nc(-c3ccccn3)c(C)c(Cl)c2cc1Cl
InChIInChI=1S/C16H12Cl2N2O/c1-9-15(18)10-7-11(17)14(21-2)8-13(10)20-16(9)12-5-3-4-6-19-12/h3-8H,1-2H3
InChIKeyDRUHOIQFKHDGEJ-UHFFFAOYSA-N
XLogP4.92
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-7-methoxy-3-methyl-2-pyridin-2-ylquinoline?
The IUPAC name of 4,6-dichloro-7-methoxy-3-methyl-2-pyridin-2-ylquinoline (CID 59631212) is 4,6-dichloro-7-methoxy-3-methyl-2-pyridin-2-ylquinoline.
What is the SMILES notation for 4,6-dichloro-7-methoxy-3-methyl-2-pyridin-2-ylquinoline?
The canonical SMILES for 4,6-dichloro-7-methoxy-3-methyl-2-pyridin-2-ylquinoline is COc1cc2nc(-c3ccccn3)c(C)c(Cl)c2cc1Cl.
What is the InChIKey of 4,6-dichloro-7-methoxy-3-methyl-2-pyridin-2-ylquinoline?
The InChIKey is DRUHOIQFKHDGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O/c1-9-15(18)10-7-11(17)14(21-2)8-13(10)20-16(9)12-5-3-4-6-19-12/h3-8H,1-2H3.
What are the key properties of 4,6-dichloro-7-methoxy-3-methyl-2-pyridin-2-ylquinoline?
4,6-dichloro-7-methoxy-3-methyl-2-pyridin-2-ylquinoline has a molecular weight of 319.19 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-7-methoxy-3-methyl-2-pyridin-2-ylquinoline is sourced from PubChem (CID 59631212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).