2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]pyridine-3-carboxamide

C23H17F2N3O4 — CID 175908319

IUPAC2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]pyridine-3-carboxamide
SMILESCOc1cc2nccc(Oc3c(F)cc(-c4ncccc4C(N)=O)cc3F)c2cc1OC
InChIInChI=1S/C23H17F2N3O4/c1-30-19-10-14-17(11-20(19)31-2)27-7-5-18(14)32-22-15(24)8-12(9-16(22)25)21-13(23(26)29)4-3-6-28-21/h3-11H,1-2H3,(H2,26,29)
InChIKeyMWSOVAXOYPQYBR-UHFFFAOYSA-N
MW437.40 g/mol
LogP4.48
Rot. Bonds6

About 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]pyridine-3-carboxamide

2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]pyridine-3-carboxamide (PubChem CID 175908319) has the molecular formula C23H17F2N3O4 and a molecular weight of 437.40 g/mol. Its IUPAC name is 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]pyridine-3-carboxamide
PubChem CID175908319
Molecular FormulaC23H17F2N3O4
Molecular Weight437.40 g/mol
Exact Mass437.12
IUPAC Name2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]pyridine-3-carboxamide
SMILESCOc1cc2nccc(Oc3c(F)cc(-c4ncccc4C(N)=O)cc3F)c2cc1OC
InChIInChI=1S/C23H17F2N3O4/c1-30-19-10-14-17(11-20(19)31-2)27-7-5-18(14)32-22-15(24)8-12(9-16(22)25)21-13(23(26)29)4-3-6-28-21/h3-11H,1-2H3,(H2,26,29)
InChIKeyMWSOVAXOYPQYBR-UHFFFAOYSA-N
XLogP4.48
TPSA96.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.40
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3,5-difluoro-4-[6-(2-hydroxyethoxy)-7-methoxyquinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide
CID 175908320
6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 11474276
[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]methanesulfonamide
CID 157237576
4-(4-amino-3-chloro-2-ethoxy-6-fluorophenoxy)-7-methoxyquinoline-6-carboxamide
CID 174194248
4-(3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide
CID 141404312
[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamic acid
CID 22936357
2-cyclopropyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide
CID 168842926
methane;4,6,7-trimethoxyquinoline
CID 157066291
1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]ethanone
CID 24879272
[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]-phenylmethanone
CID 23156626
7-methoxy-4-(4-nitronaphthalen-1-yl)oxyquinoline-6-carboxamide
CID 169101863
ethyl 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-2-oxoacetate
CID 155671429

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]pyridine-3-carboxamide?
The IUPAC name of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]pyridine-3-carboxamide (CID 175908319) is 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]pyridine-3-carboxamide is COc1cc2nccc(Oc3c(F)cc(-c4ncccc4C(N)=O)cc3F)c2cc1OC.
What is the InChIKey of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]pyridine-3-carboxamide?
The InChIKey is MWSOVAXOYPQYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O4/c1-30-19-10-14-17(11-20(19)31-2)27-7-5-18(14)32-22-15(24)8-12(9-16(22)25)21-13(23(26)29)4-3-6-28-21/h3-11H,1-2H3,(H2,26,29).
What are the key properties of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]pyridine-3-carboxamide?
2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]pyridine-3-carboxamide has a molecular weight of 437.40 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]pyridine-3-carboxamide is sourced from PubChem (CID 175908319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).