N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C37H34F4N4O4 — CID 73351000

IUPACN-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESCOc1cc2c(Oc3ccc(NC(=O)c4cc(-c5ccc(C(F)(F)F)cc5)ccn4)cc3F)ccnc2cc1OCCCN1CCCCC1
InChIInChI=1S/C37H34F4N4O4/c1-47-34-22-28-30(23-35(34)48-19-5-18-45-16-3-2-4-17-45)42-15-13-32(28)49-33-11-10-27(21-29(33)38)44-36(46)31-20-25(12-14-43-31)24-6-8-26(9-7-24)37(39,40)41/h6-15,20-23H,2-5,16-19H2,1H3,(H,44,46)
InChIKeyJIRWVSFHXIEANN-UHFFFAOYSA-N
MW674.70 g/mol
LogP8.76
Rot. Bonds11

About N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide

N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 73351000) has the molecular formula C37H34F4N4O4 and a molecular weight of 674.70 g/mol. Its IUPAC name is N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID73351000
Molecular FormulaC37H34F4N4O4
Molecular Weight674.70 g/mol
Exact Mass674.25
IUPAC NameN-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESCOc1cc2c(Oc3ccc(NC(=O)c4cc(-c5ccc(C(F)(F)F)cc5)ccn4)cc3F)ccnc2cc1OCCCN1CCCCC1
InChIInChI=1S/C37H34F4N4O4/c1-47-34-22-28-30(23-35(34)48-19-5-18-45-16-3-2-4-17-45)42-15-13-32(28)49-33-11-10-27(21-29(33)38)44-36(46)31-20-25(12-14-43-31)24-6-8-26(9-7-24)37(39,40)41/h6-15,20-23H,2-5,16-19H2,1H3,(H,44,46)
InChIKeyJIRWVSFHXIEANN-UHFFFAOYSA-N
XLogP8.76
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.70
LogP ≤ 58.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 73351000) is N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide is COc1cc2c(Oc3ccc(NC(=O)c4cc(-c5ccc(C(F)(F)F)cc5)ccn4)cc3F)ccnc2cc1OCCCN1CCCCC1.
What is the InChIKey of N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is JIRWVSFHXIEANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34F4N4O4/c1-47-34-22-28-30(23-35(34)48-19-5-18-45-16-3-2-4-17-45)42-15-13-32(28)49-33-11-10-27(21-29(33)38)44-36(46)31-20-25(12-14-43-31)24-6-8-26(9-7-24)37(39,40)41/h6-15,20-23H,2-5,16-19H2,1H3,(H,44,46).
What are the key properties of N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 674.70 g/mol, XLogP of 8.76, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 73351000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).