(4-ethoxyphenyl)-(6-fluoro-4-pyrrolidin-1-ylquinolin-3-yl)methanone

C22H21FN2O2 — CID 20882572

IUPAC(4-ethoxyphenyl)-(6-fluoro-4-pyrrolidin-1-ylquinolin-3-yl)methanone
SMILESCCOc1ccc(C(=O)c2cnc3ccc(F)cc3c2N2CCCC2)cc1
InChIInChI=1S/C22H21FN2O2/c1-2-27-17-8-5-15(6-9-17)22(26)19-14-24-20-10-7-16(23)13-18(20)21(19)25-11-3-4-12-25/h5-10,13-14H,2-4,11-12H2,1H3
InChIKeyAZTIURSGRFACBY-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.60
Rot. Bonds5

About (4-ethoxyphenyl)-(6-fluoro-4-pyrrolidin-1-ylquinolin-3-yl)methanone

(4-ethoxyphenyl)-(6-fluoro-4-pyrrolidin-1-ylquinolin-3-yl)methanone (PubChem CID 20882572) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is (4-ethoxyphenyl)-(6-fluoro-4-pyrrolidin-1-ylquinolin-3-yl)methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-(6-fluoro-4-pyrrolidin-1-ylquinolin-3-yl)methanone
PubChem CID20882572
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC Name(4-ethoxyphenyl)-(6-fluoro-4-pyrrolidin-1-ylquinolin-3-yl)methanone
SMILESCCOc1ccc(C(=O)c2cnc3ccc(F)cc3c2N2CCCC2)cc1
InChIInChI=1S/C22H21FN2O2/c1-2-27-17-8-5-15(6-9-17)22(26)19-14-24-20-10-7-16(23)13-18(20)21(19)25-11-3-4-12-25/h5-10,13-14H,2-4,11-12H2,1H3
InChIKeyAZTIURSGRFACBY-UHFFFAOYSA-N
XLogP4.60
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-(6-fluoro-4-pyrrolidin-1-ylquinolin-3-yl)methanone?
The IUPAC name of (4-ethoxyphenyl)-(6-fluoro-4-pyrrolidin-1-ylquinolin-3-yl)methanone (CID 20882572) is (4-ethoxyphenyl)-(6-fluoro-4-pyrrolidin-1-ylquinolin-3-yl)methanone.
What is the SMILES notation for (4-ethoxyphenyl)-(6-fluoro-4-pyrrolidin-1-ylquinolin-3-yl)methanone?
The canonical SMILES for (4-ethoxyphenyl)-(6-fluoro-4-pyrrolidin-1-ylquinolin-3-yl)methanone is CCOc1ccc(C(=O)c2cnc3ccc(F)cc3c2N2CCCC2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-(6-fluoro-4-pyrrolidin-1-ylquinolin-3-yl)methanone?
The InChIKey is AZTIURSGRFACBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2/c1-2-27-17-8-5-15(6-9-17)22(26)19-14-24-20-10-7-16(23)13-18(20)21(19)25-11-3-4-12-25/h5-10,13-14H,2-4,11-12H2,1H3.
What are the key properties of (4-ethoxyphenyl)-(6-fluoro-4-pyrrolidin-1-ylquinolin-3-yl)methanone?
(4-ethoxyphenyl)-(6-fluoro-4-pyrrolidin-1-ylquinolin-3-yl)methanone has a molecular weight of 364.42 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-(6-fluoro-4-pyrrolidin-1-ylquinolin-3-yl)methanone is sourced from PubChem (CID 20882572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).