2-[3,5-difluoro-4-[6-(2-hydroxyethoxy)-7-methoxyquinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide

C25H21F2N3O6 — CID 175908320

IUPAC2-[3,5-difluoro-4-[6-(2-hydroxyethoxy)-7-methoxyquinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide
SMILESCOc1cc2nccc(Oc3c(F)cc(-c4nccc(OC)c4C(N)=O)cc3F)c2cc1OCCO
InChIInChI=1S/C25H21F2N3O6/c1-33-19-4-6-30-23(22(19)25(28)32)13-9-15(26)24(16(27)10-13)36-18-3-5-29-17-12-20(34-2)21(11-14(17)18)35-8-7-31/h3-6,9-12,31H,7-8H2,1-2H3,(H2,28,32)
InChIKeyDZRRKECETZNJJT-UHFFFAOYSA-N
MW497.45 g/mol
LogP3.85
Rot. Bonds9

About 2-[3,5-difluoro-4-[6-(2-hydroxyethoxy)-7-methoxyquinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide

2-[3,5-difluoro-4-[6-(2-hydroxyethoxy)-7-methoxyquinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide (PubChem CID 175908320) has the molecular formula C25H21F2N3O6 and a molecular weight of 497.45 g/mol. Its IUPAC name is 2-[3,5-difluoro-4-[6-(2-hydroxyethoxy)-7-methoxyquinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3,5-difluoro-4-[6-(2-hydroxyethoxy)-7-methoxyquinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide
PubChem CID175908320
Molecular FormulaC25H21F2N3O6
Molecular Weight497.45 g/mol
Exact Mass497.14
IUPAC Name2-[3,5-difluoro-4-[6-(2-hydroxyethoxy)-7-methoxyquinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide
SMILESCOc1cc2nccc(Oc3c(F)cc(-c4nccc(OC)c4C(N)=O)cc3F)c2cc1OCCO
InChIInChI=1S/C25H21F2N3O6/c1-33-19-4-6-30-23(22(19)25(28)32)13-9-15(26)24(16(27)10-13)36-18-3-5-29-17-12-20(34-2)21(11-14(17)18)35-8-7-31/h3-6,9-12,31H,7-8H2,1-2H3,(H2,28,32)
InChIKeyDZRRKECETZNJJT-UHFFFAOYSA-N
XLogP3.85
TPSA126.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.45
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]pyridine-3-carboxamide
CID 175908319
2-fluoro-5-[7-(2-hydroxyethoxy)-6-methoxyquinolin-4-yl]oxy-4-phenylpyridine-3-carboxamide
CID 175908278
(E,2E)-N-[3,5-difluoro-4-[7-(2-hydroxyethoxy)-6-methoxyquinolin-4-yl]oxyphenyl]-3-methoxy-2-[(methylideneamino)methylidene]pent-3-enamide
CID 168942983
[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
tert-butyl N-[3-[4-(4-amino-2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]carbamate
CID 66611559
3-fluoro-4-[6-methoxy-7-[3-(2-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxybenzamide
CID 67959112
methane;4,6,7-trimethoxyquinoline
CID 157066291
N-[3,5-difluoro-4-[7-(2-hydroxy-2-methylpropoxy)-6-methoxyquinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide
CID 168842960
ethyl 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-2-oxoacetate
CID 155671429
4-cyclopropyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-6-methylpyridine-3-carboxamide
CID 168842767
bicyclo[3.1.0]hexa-1(6),2,4-triene;S-[N-carbamoyl-4-[7-[2-(diethylamino)ethoxy]-6-methoxyquinolin-4-yl]oxy-3-fluoroanilino] ethanethioate
CID 87306234

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-difluoro-4-[6-(2-hydroxyethoxy)-7-methoxyquinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide?
The IUPAC name of 2-[3,5-difluoro-4-[6-(2-hydroxyethoxy)-7-methoxyquinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide (CID 175908320) is 2-[3,5-difluoro-4-[6-(2-hydroxyethoxy)-7-methoxyquinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide.
What is the SMILES notation for 2-[3,5-difluoro-4-[6-(2-hydroxyethoxy)-7-methoxyquinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide?
The canonical SMILES for 2-[3,5-difluoro-4-[6-(2-hydroxyethoxy)-7-methoxyquinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide is COc1cc2nccc(Oc3c(F)cc(-c4nccc(OC)c4C(N)=O)cc3F)c2cc1OCCO.
What is the InChIKey of 2-[3,5-difluoro-4-[6-(2-hydroxyethoxy)-7-methoxyquinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide?
The InChIKey is DZRRKECETZNJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N3O6/c1-33-19-4-6-30-23(22(19)25(28)32)13-9-15(26)24(16(27)10-13)36-18-3-5-29-17-12-20(34-2)21(11-14(17)18)35-8-7-31/h3-6,9-12,31H,7-8H2,1-2H3,(H2,28,32).
What are the key properties of 2-[3,5-difluoro-4-[6-(2-hydroxyethoxy)-7-methoxyquinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide?
2-[3,5-difluoro-4-[6-(2-hydroxyethoxy)-7-methoxyquinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide has a molecular weight of 497.45 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-difluoro-4-[6-(2-hydroxyethoxy)-7-methoxyquinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide is sourced from PubChem (CID 175908320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).