(3,5-difluoro-4-morpholin-4-ylphenyl)-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone

C20H19F3N2O2 — CID 138039098

IUPAC(3,5-difluoro-4-morpholin-4-ylphenyl)-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1cc(F)c(N2CCOCC2)c(F)c1)N1CCCc2c(F)cccc21
InChIInChI=1S/C20H19F3N2O2/c21-15-4-1-5-18-14(15)3-2-6-25(18)20(26)13-11-16(22)19(17(23)12-13)24-7-9-27-10-8-24/h1,4-5,11-12H,2-3,6-10H2
InChIKeyDMOOXYSQDKLLNU-UHFFFAOYSA-N
MW376.38 g/mol
LogP3.53
Rot. Bonds2

About (3,5-difluoro-4-morpholin-4-ylphenyl)-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone

(3,5-difluoro-4-morpholin-4-ylphenyl)-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 138039098) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is (3,5-difluoro-4-morpholin-4-ylphenyl)-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-difluoro-4-morpholin-4-ylphenyl)-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID138039098
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC Name(3,5-difluoro-4-morpholin-4-ylphenyl)-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1cc(F)c(N2CCOCC2)c(F)c1)N1CCCc2c(F)cccc21
InChIInChI=1S/C20H19F3N2O2/c21-15-4-1-5-18-14(15)3-2-6-25(18)20(26)13-11-16(22)19(17(23)12-13)24-7-9-27-10-8-24/h1,4-5,11-12H,2-3,6-10H2
InChIKeyDMOOXYSQDKLLNU-UHFFFAOYSA-N
XLogP3.53
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-difluoro-4-morpholin-4-ylphenyl)-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (3,5-difluoro-4-morpholin-4-ylphenyl)-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 138039098) is (3,5-difluoro-4-morpholin-4-ylphenyl)-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (3,5-difluoro-4-morpholin-4-ylphenyl)-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (3,5-difluoro-4-morpholin-4-ylphenyl)-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(c1cc(F)c(N2CCOCC2)c(F)c1)N1CCCc2c(F)cccc21.
What is the InChIKey of (3,5-difluoro-4-morpholin-4-ylphenyl)-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is DMOOXYSQDKLLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c21-15-4-1-5-18-14(15)3-2-6-25(18)20(26)13-11-16(22)19(17(23)12-13)24-7-9-27-10-8-24/h1,4-5,11-12H,2-3,6-10H2.
What are the key properties of (3,5-difluoro-4-morpholin-4-ylphenyl)-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone?
(3,5-difluoro-4-morpholin-4-ylphenyl)-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 376.38 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluoro-4-morpholin-4-ylphenyl)-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 138039098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).