3-chloro-8-fluoro-6-[(6-methylpyridazin-4-yl)oxymethyl]quinoline

C15H11ClFN3O — CID 165134131

IUPAC3-chloro-8-fluoro-6-[(6-methylpyridazin-4-yl)oxymethyl]quinoline
SMILESCc1cc(OCc2cc(F)c3ncc(Cl)cc3c2)cnn1
InChIInChI=1S/C15H11ClFN3O/c1-9-2-13(7-19-20-9)21-8-10-3-11-5-12(16)6-18-15(11)14(17)4-10/h2-7H,8H2,1H3
InChIKeyBAVAKLVHSBEVMY-UHFFFAOYSA-N
MW303.72 g/mol
LogP3.70
Rot. Bonds3

About 3-chloro-8-fluoro-6-[(6-methylpyridazin-4-yl)oxymethyl]quinoline

3-chloro-8-fluoro-6-[(6-methylpyridazin-4-yl)oxymethyl]quinoline (PubChem CID 165134131) has the molecular formula C15H11ClFN3O and a molecular weight of 303.72 g/mol. Its IUPAC name is 3-chloro-8-fluoro-6-[(6-methylpyridazin-4-yl)oxymethyl]quinoline.

Molecular Properties

Compound Name3-chloro-8-fluoro-6-[(6-methylpyridazin-4-yl)oxymethyl]quinoline
PubChem CID165134131
Molecular FormulaC15H11ClFN3O
Molecular Weight303.72 g/mol
Exact Mass303.06
IUPAC Name3-chloro-8-fluoro-6-[(6-methylpyridazin-4-yl)oxymethyl]quinoline
SMILESCc1cc(OCc2cc(F)c3ncc(Cl)cc3c2)cnn1
InChIInChI=1S/C15H11ClFN3O/c1-9-2-13(7-19-20-9)21-8-10-3-11-5-12(16)6-18-15(11)14(17)4-10/h2-7H,8H2,1H3
InChIKeyBAVAKLVHSBEVMY-UHFFFAOYSA-N
XLogP3.70
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-8-fluoro-6-[(6-methylpyridazin-4-yl)oxymethyl]quinoline?
The IUPAC name of 3-chloro-8-fluoro-6-[(6-methylpyridazin-4-yl)oxymethyl]quinoline (CID 165134131) is 3-chloro-8-fluoro-6-[(6-methylpyridazin-4-yl)oxymethyl]quinoline.
What is the SMILES notation for 3-chloro-8-fluoro-6-[(6-methylpyridazin-4-yl)oxymethyl]quinoline?
The canonical SMILES for 3-chloro-8-fluoro-6-[(6-methylpyridazin-4-yl)oxymethyl]quinoline is Cc1cc(OCc2cc(F)c3ncc(Cl)cc3c2)cnn1.
What is the InChIKey of 3-chloro-8-fluoro-6-[(6-methylpyridazin-4-yl)oxymethyl]quinoline?
The InChIKey is BAVAKLVHSBEVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O/c1-9-2-13(7-19-20-9)21-8-10-3-11-5-12(16)6-18-15(11)14(17)4-10/h2-7H,8H2,1H3.
What are the key properties of 3-chloro-8-fluoro-6-[(6-methylpyridazin-4-yl)oxymethyl]quinoline?
3-chloro-8-fluoro-6-[(6-methylpyridazin-4-yl)oxymethyl]quinoline has a molecular weight of 303.72 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-8-fluoro-6-[(6-methylpyridazin-4-yl)oxymethyl]quinoline is sourced from PubChem (CID 165134131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).