4-(3-bromophenoxy)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline

C21H14BrFN2O — CID 141294738

IUPAC4-(3-bromophenoxy)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline
SMILESCc1c(-c2ccccn2)nc2cc(F)ccc2c1Oc1cccc(Br)c1
InChIInChI=1S/C21H14BrFN2O/c1-13-20(18-7-2-3-10-24-18)25-19-12-15(23)8-9-17(19)21(13)26-16-6-4-5-14(22)11-16/h2-12H,1H3
InChIKeyCKWUYKZNKBOVDO-UHFFFAOYSA-N
MW409.26 g/mol
LogP6.30
Rot. Bonds3

About 4-(3-bromophenoxy)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline

4-(3-bromophenoxy)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline (PubChem CID 141294738) has the molecular formula C21H14BrFN2O and a molecular weight of 409.26 g/mol. Its IUPAC name is 4-(3-bromophenoxy)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline.

Molecular Properties

Compound Name4-(3-bromophenoxy)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline
PubChem CID141294738
Molecular FormulaC21H14BrFN2O
Molecular Weight409.26 g/mol
Exact Mass408.03
IUPAC Name4-(3-bromophenoxy)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline
SMILESCc1c(-c2ccccn2)nc2cc(F)ccc2c1Oc1cccc(Br)c1
InChIInChI=1S/C21H14BrFN2O/c1-13-20(18-7-2-3-10-24-18)25-19-12-15(23)8-9-17(19)21(13)26-16-6-4-5-14(22)11-16/h2-12H,1H3
InChIKeyCKWUYKZNKBOVDO-UHFFFAOYSA-N
XLogP6.30
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.26
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenoxy)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline?
The IUPAC name of 4-(3-bromophenoxy)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline (CID 141294738) is 4-(3-bromophenoxy)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline.
What is the SMILES notation for 4-(3-bromophenoxy)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline?
The canonical SMILES for 4-(3-bromophenoxy)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline is Cc1c(-c2ccccn2)nc2cc(F)ccc2c1Oc1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenoxy)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline?
The InChIKey is CKWUYKZNKBOVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrFN2O/c1-13-20(18-7-2-3-10-24-18)25-19-12-15(23)8-9-17(19)21(13)26-16-6-4-5-14(22)11-16/h2-12H,1H3.
What are the key properties of 4-(3-bromophenoxy)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline?
4-(3-bromophenoxy)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline has a molecular weight of 409.26 g/mol, XLogP of 6.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenoxy)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline is sourced from PubChem (CID 141294738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).