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

C27H24F2N4O3 — CID 70853101

IUPAC8-[3-(difluoromethoxy)phenyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]quinoline-2-carboxamide
SMILESO=C(Nc1ccc(CN2CCOCC2)nc1)c1ccc2cccc(-c3cccc(OC(F)F)c3)c2n1
InChIInChI=1S/C27H24F2N4O3/c28-27(29)36-22-5-1-4-19(15-22)23-6-2-3-18-7-10-24(32-25(18)23)26(34)31-20-8-9-21(30-16-20)17-33-11-13-35-14-12-33/h1-10,15-16,27H,11-14,17H2,(H,31,34)
InChIKeyNDLZABZFGOSLCX-UHFFFAOYSA-N
MW490.51 g/mol
LogP4.98
Rot. Bonds7

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

8-[3-(difluoromethoxy)phenyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]quinoline-2-carboxamide (PubChem CID 70853101) 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)-3-pyridinyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name8-[3-(difluoromethoxy)phenyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]quinoline-2-carboxamide
PubChem CID70853101
Molecular FormulaC27H24F2N4O3
Molecular Weight490.51 g/mol
Exact Mass490.18
IUPAC Name8-[3-(difluoromethoxy)phenyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]quinoline-2-carboxamide
SMILESO=C(Nc1ccc(CN2CCOCC2)nc1)c1ccc2cccc(-c3cccc(OC(F)F)c3)c2n1
InChIInChI=1S/C27H24F2N4O3/c28-27(29)36-22-5-1-4-19(15-22)23-6-2-3-18-7-10-24(32-25(18)23)26(34)31-20-8-9-21(30-16-20)17-33-11-13-35-14-12-33/h1-10,15-16,27H,11-14,17H2,(H,31,34)
InChIKeyNDLZABZFGOSLCX-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)-3-pyridinyl]quinoline-2-carboxamide?
The IUPAC name of 8-[3-(difluoromethoxy)phenyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]quinoline-2-carboxamide (CID 70853101) is 8-[3-(difluoromethoxy)phenyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]quinoline-2-carboxamide.
What is the SMILES notation for 8-[3-(difluoromethoxy)phenyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]quinoline-2-carboxamide?
The canonical SMILES for 8-[3-(difluoromethoxy)phenyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]quinoline-2-carboxamide is O=C(Nc1ccc(CN2CCOCC2)nc1)c1ccc2cccc(-c3cccc(OC(F)F)c3)c2n1.
What is the InChIKey of 8-[3-(difluoromethoxy)phenyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]quinoline-2-carboxamide?
The InChIKey is NDLZABZFGOSLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F2N4O3/c28-27(29)36-22-5-1-4-19(15-22)23-6-2-3-18-7-10-24(32-25(18)23)26(34)31-20-8-9-21(30-16-20)17-33-11-13-35-14-12-33/h1-10,15-16,27H,11-14,17H2,(H,31,34).
What are the key properties of 8-[3-(difluoromethoxy)phenyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]quinoline-2-carboxamide?
8-[3-(difluoromethoxy)phenyl]-N-[6-(morpholin-4-ylmethyl)-3-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)-3-pyridinyl]quinoline-2-carboxamide is sourced from PubChem (CID 70853101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).