(3-cyclopropyloxy-2-pyridinyl)-[3,5-difluoro-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyanilino]methanol

C27H26F2N4O4 — CID 174116867

IUPAC(3-cyclopropyloxy-2-pyridinyl)-[3,5-difluoro-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyanilino]methanol
SMILESCNCCOc1ccc2c(Oc3c(F)cc(NC(O)c4ncccc4OC4CC4)cc3F)ccnc2c1
InChIInChI=1S/C27H26F2N4O4/c1-30-11-12-35-18-6-7-19-22(15-18)31-10-8-23(19)37-26-20(28)13-16(14-21(26)29)33-27(34)25-24(3-2-9-32-25)36-17-4-5-17/h2-3,6-10,13-15,17,27,30,33-34H,4-5,11-12H2,1H3
InChIKeyJMBOFQBBVHMWJK-UHFFFAOYSA-N
MW508.53 g/mol
LogP4.94
Rot. Bonds11

About (3-cyclopropyloxy-2-pyridinyl)-[3,5-difluoro-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyanilino]methanol

(3-cyclopropyloxy-2-pyridinyl)-[3,5-difluoro-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyanilino]methanol (PubChem CID 174116867) has the molecular formula C27H26F2N4O4 and a molecular weight of 508.53 g/mol. Its IUPAC name is (3-cyclopropyloxy-2-pyridinyl)-[3,5-difluoro-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyanilino]methanol.

Molecular Properties

Compound Name(3-cyclopropyloxy-2-pyridinyl)-[3,5-difluoro-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyanilino]methanol
PubChem CID174116867
Molecular FormulaC27H26F2N4O4
Molecular Weight508.53 g/mol
Exact Mass508.19
IUPAC Name(3-cyclopropyloxy-2-pyridinyl)-[3,5-difluoro-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyanilino]methanol
SMILESCNCCOc1ccc2c(Oc3c(F)cc(NC(O)c4ncccc4OC4CC4)cc3F)ccnc2c1
InChIInChI=1S/C27H26F2N4O4/c1-30-11-12-35-18-6-7-19-22(15-18)31-10-8-23(19)37-26-20(28)13-16(14-21(26)29)33-27(34)25-24(3-2-9-32-25)36-17-4-5-17/h2-3,6-10,13-15,17,27,30,33-34H,4-5,11-12H2,1H3
InChIKeyJMBOFQBBVHMWJK-UHFFFAOYSA-N
XLogP4.94
TPSA97.76 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.53
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-cyclopropyloxy-3,5-difluoro-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-6-methylpyridine-3-carboxamide
CID 168943007
2,3,5-trifluoro-N-methyl-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyaniline
CID 168943032
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-[7-(azetidin-3-yloxy)quinolin-4-yl]oxy-3,5-difluoro-N-methylaniline
CID 168942954
4-cyclobutyloxypyridine-3-carbaldehyde;3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxy-N-methylaniline
CID 168943048
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-[7-[(2R)-2-aminopropoxy]quinolin-4-yl]oxy-3,5-difluoro-N-methylaniline;2-fluoro-4-methoxypyridine-3-carbaldehyde
CID 168943021
N-[4-[7-[(1-aminocyclopropyl)methoxy]quinolin-4-yl]oxy-3,5-difluorophenyl]-7-cyclopropyloxycyclohepta-1,4,6-triene-1-carboxamide
CID 168943001
1-[4-[2,6-difluoro-4-(methylamino)phenoxy]quinolin-7-yl]oxy-2-methylpropan-2-ol;4-methoxypyridine-3-carbaldehyde
CID 168942957
4-ethoxy-N-[4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxy-3,5-bis(phosphanyl)phenyl]pyridine-3-carboxamide
CID 170005576

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyloxy-2-pyridinyl)-[3,5-difluoro-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyanilino]methanol?
The IUPAC name of (3-cyclopropyloxy-2-pyridinyl)-[3,5-difluoro-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyanilino]methanol (CID 174116867) is (3-cyclopropyloxy-2-pyridinyl)-[3,5-difluoro-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyanilino]methanol.
What is the SMILES notation for (3-cyclopropyloxy-2-pyridinyl)-[3,5-difluoro-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyanilino]methanol?
The canonical SMILES for (3-cyclopropyloxy-2-pyridinyl)-[3,5-difluoro-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyanilino]methanol is CNCCOc1ccc2c(Oc3c(F)cc(NC(O)c4ncccc4OC4CC4)cc3F)ccnc2c1.
What is the InChIKey of (3-cyclopropyloxy-2-pyridinyl)-[3,5-difluoro-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyanilino]methanol?
The InChIKey is JMBOFQBBVHMWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N4O4/c1-30-11-12-35-18-6-7-19-22(15-18)31-10-8-23(19)37-26-20(28)13-16(14-21(26)29)33-27(34)25-24(3-2-9-32-25)36-17-4-5-17/h2-3,6-10,13-15,17,27,30,33-34H,4-5,11-12H2,1H3.
What are the key properties of (3-cyclopropyloxy-2-pyridinyl)-[3,5-difluoro-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyanilino]methanol?
(3-cyclopropyloxy-2-pyridinyl)-[3,5-difluoro-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyanilino]methanol has a molecular weight of 508.53 g/mol, XLogP of 4.94, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyloxy-2-pyridinyl)-[3,5-difluoro-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyanilino]methanol is sourced from PubChem (CID 174116867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).