(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(3-methoxyphenyl)methanone

C22H20F2N2O3 — CID 77105014

IUPAC(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCC(F)(F)C(Oc3ccc4ccccc4n3)C2)c1
InChIInChI=1S/C22H20F2N2O3/c1-28-17-7-4-6-16(13-17)21(27)26-12-11-22(23,24)19(14-26)29-20-10-9-15-5-2-3-8-18(15)25-20/h2-10,13,19H,11-12,14H2,1H3
InChIKeyQZXSVMSMRJTFPZ-UHFFFAOYSA-N
MW398.41 g/mol
LogP4.17
Rot. Bonds4

About (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(3-methoxyphenyl)methanone

(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(3-methoxyphenyl)methanone (PubChem CID 77105014) has the molecular formula C22H20F2N2O3 and a molecular weight of 398.41 g/mol. Its IUPAC name is (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(3-methoxyphenyl)methanone
PubChem CID77105014
Molecular FormulaC22H20F2N2O3
Molecular Weight398.41 g/mol
Exact Mass398.14
IUPAC Name(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCC(F)(F)C(Oc3ccc4ccccc4n3)C2)c1
InChIInChI=1S/C22H20F2N2O3/c1-28-17-7-4-6-16(13-17)21(27)26-12-11-22(23,24)19(14-26)29-20-10-9-15-5-2-3-8-18(15)25-20/h2-10,13,19H,11-12,14H2,1H3
InChIKeyQZXSVMSMRJTFPZ-UHFFFAOYSA-N
XLogP4.17
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(3-methoxyphenyl)methanone?
The IUPAC name of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(3-methoxyphenyl)methanone (CID 77105014) is (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(3-methoxyphenyl)methanone.
What is the SMILES notation for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(3-methoxyphenyl)methanone?
The canonical SMILES for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCC(F)(F)C(Oc3ccc4ccccc4n3)C2)c1.
What is the InChIKey of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(3-methoxyphenyl)methanone?
The InChIKey is QZXSVMSMRJTFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O3/c1-28-17-7-4-6-16(13-17)21(27)26-12-11-22(23,24)19(14-26)29-20-10-9-15-5-2-3-8-18(15)25-20/h2-10,13,19H,11-12,14H2,1H3.
What are the key properties of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(3-methoxyphenyl)methanone?
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(3-methoxyphenyl)methanone has a molecular weight of 398.41 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(3-methoxyphenyl)methanone is sourced from PubChem (CID 77105014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).