4-cyclobutyloxypyridine-3-carbaldehyde;3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxy-N-methylaniline

C30H32F2N4O5 — CID 168943048

IUPAC4-cyclobutyloxypyridine-3-carbaldehyde;3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxy-N-methylaniline
SMILESCNCCOc1cc2nccc(Oc3c(F)cc(NC)cc3F)c2cc1OC.O=Cc1cnccc1OC1CCC1
InChIInChI=1S/C20H21F2N3O3.C10H11NO2/c1-23-6-7-27-19-11-16-13(10-18(19)26-3)17(4-5-25-16)28-20-14(21)8-12(24-2)9-15(20)22;12-7-8-6-11-5-4-10(8)13-9-2-1-3-9/h4-5,8-11,23-24H,6-7H2,1-3H3;4-7,9H,1-3H2
InChIKeyKJMAVUBUVXVZFQ-UHFFFAOYSA-N
MW566.61 g/mol
LogP5.78
Rot. Bonds11

About 4-cyclobutyloxypyridine-3-carbaldehyde;3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxy-N-methylaniline

4-cyclobutyloxypyridine-3-carbaldehyde;3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxy-N-methylaniline (PubChem CID 168943048) has the molecular formula C30H32F2N4O5 and a molecular weight of 566.61 g/mol. Its IUPAC name is 4-cyclobutyloxypyridine-3-carbaldehyde;3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxy-N-methylaniline.

Molecular Properties

Compound Name4-cyclobutyloxypyridine-3-carbaldehyde;3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxy-N-methylaniline
PubChem CID168943048
Molecular FormulaC30H32F2N4O5
Molecular Weight566.61 g/mol
Exact Mass566.23
IUPAC Name4-cyclobutyloxypyridine-3-carbaldehyde;3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxy-N-methylaniline
SMILESCNCCOc1cc2nccc(Oc3c(F)cc(NC)cc3F)c2cc1OC.O=Cc1cnccc1OC1CCC1
InChIInChI=1S/C20H21F2N3O3.C10H11NO2/c1-23-6-7-27-19-11-16-13(10-18(19)26-3)17(4-5-25-16)28-20-14(21)8-12(24-2)9-15(20)22;12-7-8-6-11-5-4-10(8)13-9-2-1-3-9/h4-5,8-11,23-24H,6-7H2,1-3H3;4-7,9H,1-3H2
InChIKeyKJMAVUBUVXVZFQ-UHFFFAOYSA-N
XLogP5.78
TPSA103.83 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.61
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-cyclobutyloxypyridine-3-carbaldehyde;3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxy-N-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-6-methylpyridine-3-carboxamide
CID 168842767
2-cyclopropyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide
CID 168842926
1-[4-[2,6-difluoro-4-(methylamino)phenoxy]quinolin-7-yl]oxy-2-methylpropan-2-ol;4-methoxypyridine-3-carbaldehyde
CID 168942957
4-cyclopropyloxy-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]pyridine-3-carboxamide
CID 168842883
3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinazolin-4-yl]oxy-N-methylaniline
CID 168943068
2,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxy-N-methylaniline;2-fluoro-4-methoxypyridine-3-carbaldehyde
CID 168943045
3,5-difluoro-4-[[7-(3-fluoropropoxy)-1,5-naphthyridin-4-yl]oxy]-N-methylaniline;4-fluoropyridine-3-carbaldehyde
CID 176567546
(3-cyclopropyloxy-2-pyridinyl)-[3,5-difluoro-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyanilino]methanol
CID 174116867
2,3-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyaniline
CID 168943014
N-[3-[4-(2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]cyclopropanamine
CID 141291316

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyloxypyridine-3-carbaldehyde;3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxy-N-methylaniline?
The IUPAC name of 4-cyclobutyloxypyridine-3-carbaldehyde;3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxy-N-methylaniline (CID 168943048) is 4-cyclobutyloxypyridine-3-carbaldehyde;3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxy-N-methylaniline.
What is the SMILES notation for 4-cyclobutyloxypyridine-3-carbaldehyde;3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxy-N-methylaniline?
The canonical SMILES for 4-cyclobutyloxypyridine-3-carbaldehyde;3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxy-N-methylaniline is CNCCOc1cc2nccc(Oc3c(F)cc(NC)cc3F)c2cc1OC.O=Cc1cnccc1OC1CCC1.
What is the InChIKey of 4-cyclobutyloxypyridine-3-carbaldehyde;3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxy-N-methylaniline?
The InChIKey is KJMAVUBUVXVZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O3.C10H11NO2/c1-23-6-7-27-19-11-16-13(10-18(19)26-3)17(4-5-25-16)28-20-14(21)8-12(24-2)9-15(20)22;12-7-8-6-11-5-4-10(8)13-9-2-1-3-9/h4-5,8-11,23-24H,6-7H2,1-3H3;4-7,9H,1-3H2.
What are the key properties of 4-cyclobutyloxypyridine-3-carbaldehyde;3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxy-N-methylaniline?
4-cyclobutyloxypyridine-3-carbaldehyde;3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxy-N-methylaniline has a molecular weight of 566.61 g/mol, XLogP of 5.78, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyloxypyridine-3-carbaldehyde;3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxy-N-methylaniline is sourced from PubChem (CID 168943048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).