(3-fluoro-4-methoxyphenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone

C21H19FN2O3 — CID 91815865

IUPAC(3-fluoro-4-methoxyphenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC(Oc3ccc4ccccc4n3)C2)cc1F
InChIInChI=1S/C21H19FN2O3/c1-26-19-8-6-15(12-17(19)22)21(25)24-11-10-16(13-24)27-20-9-7-14-4-2-3-5-18(14)23-20/h2-9,12,16H,10-11,13H2,1H3
InChIKeyWLVBCIAOLBCBGL-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.68
Rot. Bonds4

About (3-fluoro-4-methoxyphenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone

(3-fluoro-4-methoxyphenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone (PubChem CID 91815865) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone
PubChem CID91815865
Molecular FormulaC21H19FN2O3
Molecular Weight366.39 g/mol
Exact Mass366.14
IUPAC Name(3-fluoro-4-methoxyphenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC(Oc3ccc4ccccc4n3)C2)cc1F
InChIInChI=1S/C21H19FN2O3/c1-26-19-8-6-15(12-17(19)22)21(25)24-11-10-16(13-24)27-20-9-7-14-4-2-3-5-18(14)23-20/h2-9,12,16H,10-11,13H2,1H3
InChIKeyWLVBCIAOLBCBGL-UHFFFAOYSA-N
XLogP3.68
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-fluoro-4-methoxyphenyl)-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 91627040
[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 119100344
(3-fluoro-4-methoxyphenyl)-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129416784
[3-(2,6-dimethylpyrimidin-4-yl)oxypyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 126852395
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 90639726
(3,4-dimethoxyphenyl)-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 171701550
4-(3-quinolin-2-yloxypyrrolidine-1-carbonyl)benzonitrile
CID 91815852
(4-methoxyphenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250286
[3-(5-bromopyrimidin-2-yl)oxypyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 126854620
(4-morpholin-4-ylphenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone
CID 91815867
(2-methoxy-3-pyridinyl)-[(3R)-3-quinolin-2-yloxypyrrolidin-1-yl]methanone
CID 124727992
(2-chlorophenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone
CID 91815832

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone (CID 91815865) is (3-fluoro-4-methoxyphenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone is COc1ccc(C(=O)N2CCC(Oc3ccc4ccccc4n3)C2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone?
The InChIKey is WLVBCIAOLBCBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3/c1-26-19-8-6-15(12-17(19)22)21(25)24-11-10-16(13-24)27-20-9-7-14-4-2-3-5-18(14)23-20/h2-9,12,16H,10-11,13H2,1H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone?
(3-fluoro-4-methoxyphenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone has a molecular weight of 366.39 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 91815865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).