8-[3-(difluoromethoxy)phenyl]-N-(6-morpholin-4-yl-2-pyridinyl)quinoline-2-carboxamide

C26H22F2N4O3 — CID 70853122

IUPAC8-[3-(difluoromethoxy)phenyl]-N-(6-morpholin-4-yl-2-pyridinyl)quinoline-2-carboxamide
SMILESO=C(Nc1cccc(N2CCOCC2)n1)c1ccc2cccc(-c3cccc(OC(F)F)c3)c2n1
InChIInChI=1S/C26H22F2N4O3/c27-26(28)35-19-6-1-5-18(16-19)20-7-2-4-17-10-11-21(29-24(17)20)25(33)31-22-8-3-9-23(30-22)32-12-14-34-15-13-32/h1-11,16,26H,12-15H2,(H,30,31,33)
InChIKeyDYFQGRWOSFZBCD-UHFFFAOYSA-N
MW476.48 g/mol
LogP4.99
Rot. Bonds6

About 8-[3-(difluoromethoxy)phenyl]-N-(6-morpholin-4-yl-2-pyridinyl)quinoline-2-carboxamide

8-[3-(difluoromethoxy)phenyl]-N-(6-morpholin-4-yl-2-pyridinyl)quinoline-2-carboxamide (PubChem CID 70853122) has the molecular formula C26H22F2N4O3 and a molecular weight of 476.48 g/mol. Its IUPAC name is 8-[3-(difluoromethoxy)phenyl]-N-(6-morpholin-4-yl-2-pyridinyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name8-[3-(difluoromethoxy)phenyl]-N-(6-morpholin-4-yl-2-pyridinyl)quinoline-2-carboxamide
PubChem CID70853122
Molecular FormulaC26H22F2N4O3
Molecular Weight476.48 g/mol
Exact Mass476.17
IUPAC Name8-[3-(difluoromethoxy)phenyl]-N-(6-morpholin-4-yl-2-pyridinyl)quinoline-2-carboxamide
SMILESO=C(Nc1cccc(N2CCOCC2)n1)c1ccc2cccc(-c3cccc(OC(F)F)c3)c2n1
InChIInChI=1S/C26H22F2N4O3/c27-26(28)35-19-6-1-5-18(16-19)20-7-2-4-17-10-11-21(29-24(17)20)25(33)31-22-8-3-9-23(30-22)32-12-14-34-15-13-32/h1-11,16,26H,12-15H2,(H,30,31,33)
InChIKeyDYFQGRWOSFZBCD-UHFFFAOYSA-N
XLogP4.99
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.48
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[3-(difluoromethoxy)phenyl]-N-(6-morpholin-4-yl-2-pyridinyl)quinoline-2-carboxamide?
The IUPAC name of 8-[3-(difluoromethoxy)phenyl]-N-(6-morpholin-4-yl-2-pyridinyl)quinoline-2-carboxamide (CID 70853122) is 8-[3-(difluoromethoxy)phenyl]-N-(6-morpholin-4-yl-2-pyridinyl)quinoline-2-carboxamide.
What is the SMILES notation for 8-[3-(difluoromethoxy)phenyl]-N-(6-morpholin-4-yl-2-pyridinyl)quinoline-2-carboxamide?
The canonical SMILES for 8-[3-(difluoromethoxy)phenyl]-N-(6-morpholin-4-yl-2-pyridinyl)quinoline-2-carboxamide is O=C(Nc1cccc(N2CCOCC2)n1)c1ccc2cccc(-c3cccc(OC(F)F)c3)c2n1.
What is the InChIKey of 8-[3-(difluoromethoxy)phenyl]-N-(6-morpholin-4-yl-2-pyridinyl)quinoline-2-carboxamide?
The InChIKey is DYFQGRWOSFZBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N4O3/c27-26(28)35-19-6-1-5-18(16-19)20-7-2-4-17-10-11-21(29-24(17)20)25(33)31-22-8-3-9-23(30-22)32-12-14-34-15-13-32/h1-11,16,26H,12-15H2,(H,30,31,33).
What are the key properties of 8-[3-(difluoromethoxy)phenyl]-N-(6-morpholin-4-yl-2-pyridinyl)quinoline-2-carboxamide?
8-[3-(difluoromethoxy)phenyl]-N-(6-morpholin-4-yl-2-pyridinyl)quinoline-2-carboxamide has a molecular weight of 476.48 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(difluoromethoxy)phenyl]-N-(6-morpholin-4-yl-2-pyridinyl)quinoline-2-carboxamide is sourced from PubChem (CID 70853122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).