4-chloro-7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]quinoline

C16H12ClFN2O — CID 130454010

IUPAC4-chloro-7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]quinoline
SMILESCOCc1ccc(-c2cc3c(Cl)ccnc3cc2F)cn1
InChIInChI=1S/C16H12ClFN2O/c1-21-9-11-3-2-10(8-20-11)12-6-13-14(17)4-5-19-16(13)7-15(12)18/h2-8H,9H2,1H3
InChIKeyPIXUZIGCFYLJQV-UHFFFAOYSA-N
MW302.74 g/mol
LogP4.24
Rot. Bonds3

About 4-chloro-7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]quinoline

4-chloro-7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]quinoline (PubChem CID 130454010) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is 4-chloro-7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]quinoline.

Molecular Properties

Compound Name4-chloro-7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]quinoline
PubChem CID130454010
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC Name4-chloro-7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]quinoline
SMILESCOCc1ccc(-c2cc3c(Cl)ccnc3cc2F)cn1
InChIInChI=1S/C16H12ClFN2O/c1-21-9-11-3-2-10(8-20-11)12-6-13-14(17)4-5-19-16(13)7-15(12)18/h2-8H,9H2,1H3
InChIKeyPIXUZIGCFYLJQV-UHFFFAOYSA-N
XLogP4.24
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]quinoline?
The IUPAC name of 4-chloro-7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]quinoline (CID 130454010) is 4-chloro-7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]quinoline.
What is the SMILES notation for 4-chloro-7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]quinoline?
The canonical SMILES for 4-chloro-7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]quinoline is COCc1ccc(-c2cc3c(Cl)ccnc3cc2F)cn1.
What is the InChIKey of 4-chloro-7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]quinoline?
The InChIKey is PIXUZIGCFYLJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c1-21-9-11-3-2-10(8-20-11)12-6-13-14(17)4-5-19-16(13)7-15(12)18/h2-8H,9H2,1H3.
What are the key properties of 4-chloro-7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]quinoline?
4-chloro-7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]quinoline has a molecular weight of 302.74 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]quinoline is sourced from PubChem (CID 130454010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).