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

C27H24F2N4O3 — CID 70853131

IUPAC8-[3-(difluoromethoxy)phenyl]-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]quinoline-2-carboxamide
SMILESO=C(Nc1cccc(CN2CCOCC2)n1)c1ccc2cccc(-c3cccc(OC(F)F)c3)c2n1
InChIInChI=1S/C27H24F2N4O3/c28-27(29)36-21-7-1-5-19(16-21)22-8-2-4-18-10-11-23(31-25(18)22)26(34)32-24-9-3-6-20(30-24)17-33-12-14-35-15-13-33/h1-11,16,27H,12-15,17H2,(H,30,32,34)
InChIKeyMGGQUJIRJFIAEE-UHFFFAOYSA-N
MW490.51 g/mol
LogP4.98
Rot. Bonds7

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

8-[3-(difluoromethoxy)phenyl]-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]quinoline-2-carboxamide (PubChem CID 70853131) has the molecular formula C27H24F2N4O3 and a molecular weight of 490.51 g/mol. Its IUPAC name is 8-[3-(difluoromethoxy)phenyl]-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name8-[3-(difluoromethoxy)phenyl]-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]quinoline-2-carboxamide
PubChem CID70853131
Molecular FormulaC27H24F2N4O3
Molecular Weight490.51 g/mol
Exact Mass490.18
IUPAC Name8-[3-(difluoromethoxy)phenyl]-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]quinoline-2-carboxamide
SMILESO=C(Nc1cccc(CN2CCOCC2)n1)c1ccc2cccc(-c3cccc(OC(F)F)c3)c2n1
InChIInChI=1S/C27H24F2N4O3/c28-27(29)36-21-7-1-5-19(16-21)22-8-2-4-18-10-11-23(31-25(18)22)26(34)32-24-9-3-6-20(30-24)17-33-12-14-35-15-13-33/h1-11,16,27H,12-15,17H2,(H,30,32,34)
InChIKeyMGGQUJIRJFIAEE-UHFFFAOYSA-N
XLogP4.98
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.51
LogP ≤ 54.98
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-ylmethyl)-2-pyridinyl]quinoline-2-carboxamide?
The IUPAC name of 8-[3-(difluoromethoxy)phenyl]-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]quinoline-2-carboxamide (CID 70853131) is 8-[3-(difluoromethoxy)phenyl]-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]quinoline-2-carboxamide.
What is the SMILES notation for 8-[3-(difluoromethoxy)phenyl]-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]quinoline-2-carboxamide?
The canonical SMILES for 8-[3-(difluoromethoxy)phenyl]-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]quinoline-2-carboxamide is O=C(Nc1cccc(CN2CCOCC2)n1)c1ccc2cccc(-c3cccc(OC(F)F)c3)c2n1.
What is the InChIKey of 8-[3-(difluoromethoxy)phenyl]-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]quinoline-2-carboxamide?
The InChIKey is MGGQUJIRJFIAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F2N4O3/c28-27(29)36-21-7-1-5-19(16-21)22-8-2-4-18-10-11-23(31-25(18)22)26(34)32-24-9-3-6-20(30-24)17-33-12-14-35-15-13-33/h1-11,16,27H,12-15,17H2,(H,30,32,34).
What are the key properties of 8-[3-(difluoromethoxy)phenyl]-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]quinoline-2-carboxamide?
8-[3-(difluoromethoxy)phenyl]-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]quinoline-2-carboxamide has a molecular weight of 490.51 g/mol, XLogP of 4.98, 7 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-ylmethyl)-2-pyridinyl]quinoline-2-carboxamide is sourced from PubChem (CID 70853131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).