7-(cyclopropylmethoxy)-6-fluoro-2-methyl-4-pyrrolidin-1-ylquinoline

C18H21FN2O — CID 22641395

IUPAC7-(cyclopropylmethoxy)-6-fluoro-2-methyl-4-pyrrolidin-1-ylquinoline
SMILESCc1cc(N2CCCC2)c2cc(F)c(OCC3CC3)cc2n1
InChIInChI=1S/C18H21FN2O/c1-12-8-17(21-6-2-3-7-21)14-9-15(19)18(10-16(14)20-12)22-11-13-4-5-13/h8-10,13H,2-7,11H2,1H3
InChIKeyXEMNDKKIGHIRCJ-UHFFFAOYSA-N
MW300.38 g/mol
LogP4.07
Rot. Bonds4

About 7-(cyclopropylmethoxy)-6-fluoro-2-methyl-4-pyrrolidin-1-ylquinoline

7-(cyclopropylmethoxy)-6-fluoro-2-methyl-4-pyrrolidin-1-ylquinoline (PubChem CID 22641395) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is 7-(cyclopropylmethoxy)-6-fluoro-2-methyl-4-pyrrolidin-1-ylquinoline.

Molecular Properties

Compound Name7-(cyclopropylmethoxy)-6-fluoro-2-methyl-4-pyrrolidin-1-ylquinoline
PubChem CID22641395
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name7-(cyclopropylmethoxy)-6-fluoro-2-methyl-4-pyrrolidin-1-ylquinoline
SMILESCc1cc(N2CCCC2)c2cc(F)c(OCC3CC3)cc2n1
InChIInChI=1S/C18H21FN2O/c1-12-8-17(21-6-2-3-7-21)14-9-15(19)18(10-16(14)20-12)22-11-13-4-5-13/h8-10,13H,2-7,11H2,1H3
InChIKeyXEMNDKKIGHIRCJ-UHFFFAOYSA-N
XLogP4.07
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethoxy)-6-fluoro-2-methyl-4-pyrrolidin-1-ylquinoline?
The IUPAC name of 7-(cyclopropylmethoxy)-6-fluoro-2-methyl-4-pyrrolidin-1-ylquinoline (CID 22641395) is 7-(cyclopropylmethoxy)-6-fluoro-2-methyl-4-pyrrolidin-1-ylquinoline.
What is the SMILES notation for 7-(cyclopropylmethoxy)-6-fluoro-2-methyl-4-pyrrolidin-1-ylquinoline?
The canonical SMILES for 7-(cyclopropylmethoxy)-6-fluoro-2-methyl-4-pyrrolidin-1-ylquinoline is Cc1cc(N2CCCC2)c2cc(F)c(OCC3CC3)cc2n1.
What is the InChIKey of 7-(cyclopropylmethoxy)-6-fluoro-2-methyl-4-pyrrolidin-1-ylquinoline?
The InChIKey is XEMNDKKIGHIRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-12-8-17(21-6-2-3-7-21)14-9-15(19)18(10-16(14)20-12)22-11-13-4-5-13/h8-10,13H,2-7,11H2,1H3.
What are the key properties of 7-(cyclopropylmethoxy)-6-fluoro-2-methyl-4-pyrrolidin-1-ylquinoline?
7-(cyclopropylmethoxy)-6-fluoro-2-methyl-4-pyrrolidin-1-ylquinoline has a molecular weight of 300.38 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethoxy)-6-fluoro-2-methyl-4-pyrrolidin-1-ylquinoline is sourced from PubChem (CID 22641395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).