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

C28H26F2N4O5 — CID 168842926

IUPAC2-cyclopropyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide
SMILESCNCCOc1cc2nccc(Oc3c(F)cc(NC(=O)c4cccnc4OC4CC4)cc3F)c2cc1OC
InChIInChI=1S/C28H26F2N4O5/c1-31-10-11-37-25-15-22-19(14-24(25)36-2)23(7-9-32-22)39-26-20(29)12-16(13-21(26)30)34-27(35)18-4-3-8-33-28(18)38-17-5-6-17/h3-4,7-9,12-15,17,31H,5-6,10-11H2,1-2H3,(H,34,35)
InChIKeyZWSZREHFHHDAKK-UHFFFAOYSA-N
MW536.54 g/mol
LogP5.10
Rot. Bonds11

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

2-cyclopropyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide (PubChem CID 168842926) has the molecular formula C28H26F2N4O5 and a molecular weight of 536.54 g/mol. Its IUPAC name is 2-cyclopropyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-cyclopropyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide
PubChem CID168842926
Molecular FormulaC28H26F2N4O5
Molecular Weight536.54 g/mol
Exact Mass536.19
IUPAC Name2-cyclopropyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide
SMILESCNCCOc1cc2nccc(Oc3c(F)cc(NC(=O)c4cccnc4OC4CC4)cc3F)c2cc1OC
InChIInChI=1S/C28H26F2N4O5/c1-31-10-11-37-25-15-22-19(14-24(25)36-2)23(7-9-32-22)39-26-20(29)12-16(13-21(26)30)34-27(35)18-4-3-8-33-28(18)38-17-5-6-17/h3-4,7-9,12-15,17,31H,5-6,10-11H2,1-2H3,(H,34,35)
InChIKeyZWSZREHFHHDAKK-UHFFFAOYSA-N
XLogP5.10
TPSA103.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.54
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-cyclopropyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-6-methylpyridine-3-carboxamide
CID 168842767
4-cyclobutyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[3-(methylamino)propoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide
CID 168842787
4-cyclopropyloxy-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]pyridine-3-carboxamide
CID 168842883
4-cyclobutyloxypyridine-3-carbaldehyde;3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxy-N-methylaniline
CID 168943048
N-[3,5-difluoro-4-[7-(2-hydroxy-2-methylpropoxy)-6-methoxyquinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide
CID 168842960
4-methoxy-N-[4-[6-methoxy-7-[3-(methylamino)propoxy]quinolin-4-yl]oxy-3,5-bis(phosphanyl)phenyl]-2-phosphanylpyridine-3-carboxamide
CID 170005616
N-[3,5-difluoro-4-[6-(hydroxymethyl)-7-[3-(methylamino)propoxy]quinolin-4-yl]oxyphenyl]-4-ethoxypyridine-3-carboxamide
CID 169045756
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]-6-methoxy-1H-indazole-5-carboxamide
CID 178180015
(3-cyclopropyloxy-2-pyridinyl)-[3,5-difluoro-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyanilino]methanol
CID 174116867
3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxy-N-methylaniline;4-(2-hydroxy-2-methylpropoxy)pyridine-3-carbaldehyde
CID 168943023
6-amino-N-[2,3-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide
CID 168842833
2,3-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyaniline
CID 168943014

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide?
The IUPAC name of 2-cyclopropyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide (CID 168842926) is 2-cyclopropyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-cyclopropyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-cyclopropyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide is CNCCOc1cc2nccc(Oc3c(F)cc(NC(=O)c4cccnc4OC4CC4)cc3F)c2cc1OC.
What is the InChIKey of 2-cyclopropyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide?
The InChIKey is ZWSZREHFHHDAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F2N4O5/c1-31-10-11-37-25-15-22-19(14-24(25)36-2)23(7-9-32-22)39-26-20(29)12-16(13-21(26)30)34-27(35)18-4-3-8-33-28(18)38-17-5-6-17/h3-4,7-9,12-15,17,31H,5-6,10-11H2,1-2H3,(H,34,35).
What are the key properties of 2-cyclopropyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide?
2-cyclopropyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide has a molecular weight of 536.54 g/mol, XLogP of 5.10, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 168842926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).