6-fluoro-7-methoxy-4-(pyrrolidin-3-ylmethoxy)quinoline

C15H17FN2O2 — CID 157040753

IUPAC6-fluoro-7-methoxy-4-(pyrrolidin-3-ylmethoxy)quinoline
SMILESCOc1cc2nccc(OCC3CCNC3)c2cc1F
InChIInChI=1S/C15H17FN2O2/c1-19-15-7-13-11(6-12(15)16)14(3-5-18-13)20-9-10-2-4-17-8-10/h3,5-7,10,17H,2,4,8-9H2,1H3
InChIKeyVMNPWJLNNAQLKL-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.37
Rot. Bonds4

About 6-fluoro-7-methoxy-4-(pyrrolidin-3-ylmethoxy)quinoline

6-fluoro-7-methoxy-4-(pyrrolidin-3-ylmethoxy)quinoline (PubChem CID 157040753) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 6-fluoro-7-methoxy-4-(pyrrolidin-3-ylmethoxy)quinoline.

Molecular Properties

Compound Name6-fluoro-7-methoxy-4-(pyrrolidin-3-ylmethoxy)quinoline
PubChem CID157040753
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name6-fluoro-7-methoxy-4-(pyrrolidin-3-ylmethoxy)quinoline
SMILESCOc1cc2nccc(OCC3CCNC3)c2cc1F
InChIInChI=1S/C15H17FN2O2/c1-19-15-7-13-11(6-12(15)16)14(3-5-18-13)20-9-10-2-4-17-8-10/h3,5-7,10,17H,2,4,8-9H2,1H3
InChIKeyVMNPWJLNNAQLKL-UHFFFAOYSA-N
XLogP2.37
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-methoxy-4-(pyrrolidin-3-ylmethoxy)quinoline?
The IUPAC name of 6-fluoro-7-methoxy-4-(pyrrolidin-3-ylmethoxy)quinoline (CID 157040753) is 6-fluoro-7-methoxy-4-(pyrrolidin-3-ylmethoxy)quinoline.
What is the SMILES notation for 6-fluoro-7-methoxy-4-(pyrrolidin-3-ylmethoxy)quinoline?
The canonical SMILES for 6-fluoro-7-methoxy-4-(pyrrolidin-3-ylmethoxy)quinoline is COc1cc2nccc(OCC3CCNC3)c2cc1F.
What is the InChIKey of 6-fluoro-7-methoxy-4-(pyrrolidin-3-ylmethoxy)quinoline?
The InChIKey is VMNPWJLNNAQLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-19-15-7-13-11(6-12(15)16)14(3-5-18-13)20-9-10-2-4-17-8-10/h3,5-7,10,17H,2,4,8-9H2,1H3.
What are the key properties of 6-fluoro-7-methoxy-4-(pyrrolidin-3-ylmethoxy)quinoline?
6-fluoro-7-methoxy-4-(pyrrolidin-3-ylmethoxy)quinoline has a molecular weight of 276.31 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-methoxy-4-(pyrrolidin-3-ylmethoxy)quinoline is sourced from PubChem (CID 157040753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).