2-[2-cyclopropyloxy-3,5-difluoro-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-6-methylpyridine-3-carboxamide

C28H26F2N4O4 — CID 168943007

IUPAC2-[2-cyclopropyloxy-3,5-difluoro-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-6-methylpyridine-3-carboxamide
SMILESCNCCOc1ccc2c(Oc3c(F)cc(-c4nc(C)ccc4C(N)=O)c(OC4CC4)c3F)ccnc2c1
InChIInChI=1S/C28H26F2N4O4/c1-15-3-7-19(28(31)35)25(34-15)20-14-21(29)27(24(30)26(20)37-16-4-5-16)38-23-9-10-33-22-13-17(6-8-18(22)23)36-12-11-32-2/h3,6-10,13-14,16,32H,4-5,11-12H2,1-2H3,(H2,31,35)
InChIKeyLZYBIYBOHZQWAC-UHFFFAOYSA-N
MW520.54 g/mol
LogP4.91
Rot. Bonds10

About 2-[2-cyclopropyloxy-3,5-difluoro-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-6-methylpyridine-3-carboxamide

2-[2-cyclopropyloxy-3,5-difluoro-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-6-methylpyridine-3-carboxamide (PubChem CID 168943007) has the molecular formula C28H26F2N4O4 and a molecular weight of 520.54 g/mol. Its IUPAC name is 2-[2-cyclopropyloxy-3,5-difluoro-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-cyclopropyloxy-3,5-difluoro-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-6-methylpyridine-3-carboxamide
PubChem CID168943007
Molecular FormulaC28H26F2N4O4
Molecular Weight520.54 g/mol
Exact Mass520.19
IUPAC Name2-[2-cyclopropyloxy-3,5-difluoro-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-6-methylpyridine-3-carboxamide
SMILESCNCCOc1ccc2c(Oc3c(F)cc(-c4nc(C)ccc4C(N)=O)c(OC4CC4)c3F)ccnc2c1
InChIInChI=1S/C28H26F2N4O4/c1-15-3-7-19(28(31)35)25(34-15)20-14-21(29)27(24(30)26(20)37-16-4-5-16)38-23-9-10-33-22-13-17(6-8-18(22)23)36-12-11-32-2/h3,6-10,13-14,16,32H,4-5,11-12H2,1-2H3,(H2,31,35)
InChIKeyLZYBIYBOHZQWAC-UHFFFAOYSA-N
XLogP4.91
TPSA108.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.54
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3-cyclopropyloxy-2-pyridinyl)-[3,5-difluoro-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyanilino]methanol
CID 174116867
2,3,5-trifluoro-N-methyl-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyaniline
CID 168943032
4-cyclopropyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-6-methylpyridine-3-carboxamide
CID 168842767
4-cyclopropyloxy-N-[3,5-difluoro-4-[7-[(2S)-2-hydroxypropoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide
CID 168842830
2-cyclopropyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide
CID 168842926
4-ethoxy-N-[4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxy-3,5-bis(phosphanyl)phenyl]pyridine-3-carboxamide
CID 170005576
4-cyclobutyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[3-(methylamino)propoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide
CID 168842787
6-cyclopropyloxy-4-[[(2S,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]quinoline-7-carboxamide
CID 134487367
4-[7-(azetidin-3-yloxy)quinolin-4-yl]oxy-3,5-difluoro-N-methylaniline
CID 168942954
N-[4-[7-[(1-aminocyclopropyl)methoxy]quinolin-4-yl]oxy-3,5-difluorophenyl]-7-cyclopropyloxycyclohepta-1,4,6-triene-1-carboxamide
CID 168943001
4-[3-fluoro-4-(2-fluoroethylcarbamoylamino)phenoxy]-7-(2-methoxyethoxy)quinoline-6-carboxamide
CID 58930854
4-cyclobutyloxypyridine-3-carbaldehyde;3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxy-N-methylaniline
CID 168943048

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclopropyloxy-3,5-difluoro-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of 2-[2-cyclopropyloxy-3,5-difluoro-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-6-methylpyridine-3-carboxamide (CID 168943007) is 2-[2-cyclopropyloxy-3,5-difluoro-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-[2-cyclopropyloxy-3,5-difluoro-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for 2-[2-cyclopropyloxy-3,5-difluoro-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-6-methylpyridine-3-carboxamide is CNCCOc1ccc2c(Oc3c(F)cc(-c4nc(C)ccc4C(N)=O)c(OC4CC4)c3F)ccnc2c1.
What is the InChIKey of 2-[2-cyclopropyloxy-3,5-difluoro-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-6-methylpyridine-3-carboxamide?
The InChIKey is LZYBIYBOHZQWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F2N4O4/c1-15-3-7-19(28(31)35)25(34-15)20-14-21(29)27(24(30)26(20)37-16-4-5-16)38-23-9-10-33-22-13-17(6-8-18(22)23)36-12-11-32-2/h3,6-10,13-14,16,32H,4-5,11-12H2,1-2H3,(H2,31,35).
What are the key properties of 2-[2-cyclopropyloxy-3,5-difluoro-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-6-methylpyridine-3-carboxamide?
2-[2-cyclopropyloxy-3,5-difluoro-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-6-methylpyridine-3-carboxamide has a molecular weight of 520.54 g/mol, XLogP of 4.91, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclopropyloxy-3,5-difluoro-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 168943007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).