N-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-N-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide

C35H25F2N3O5 — CID 69396264

IUPACN-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-N-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCOc1cc2c(Oc3ccc(N(C(=O)c4ccc[nH]c4=O)c4ccc(F)cc4)cc3F)ccnc2cc1OCc1ccccc1
InChIInChI=1S/C35H25F2N3O5/c1-43-32-19-27-29(20-33(32)44-21-22-6-3-2-4-7-22)38-17-15-30(27)45-31-14-13-25(18-28(31)37)40(24-11-9-23(36)10-12-24)35(42)26-8-5-16-39-34(26)41/h2-20H,21H2,1H3,(H,39,41)
InChIKeyXTCQCPJERNXCHS-UHFFFAOYSA-N
MW605.60 g/mol
LogP7.56
Rot. Bonds9

About N-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-N-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide

N-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-N-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 69396264) has the molecular formula C35H25F2N3O5 and a molecular weight of 605.60 g/mol. Its IUPAC name is N-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-N-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-N-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID69396264
Molecular FormulaC35H25F2N3O5
Molecular Weight605.60 g/mol
Exact Mass605.18
IUPAC NameN-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-N-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCOc1cc2c(Oc3ccc(N(C(=O)c4ccc[nH]c4=O)c4ccc(F)cc4)cc3F)ccnc2cc1OCc1ccccc1
InChIInChI=1S/C35H25F2N3O5/c1-43-32-19-27-29(20-33(32)44-21-22-6-3-2-4-7-22)38-17-15-30(27)45-31-14-13-25(18-28(31)37)40(24-11-9-23(36)10-12-24)35(42)26-8-5-16-39-34(26)41/h2-20H,21H2,1H3,(H,39,41)
InChIKeyXTCQCPJERNXCHS-UHFFFAOYSA-N
XLogP7.56
TPSA93.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.60
LogP ≤ 57.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-N'-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 170901391
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-oxo-N-phenyl-5-(1H-pyrazol-4-yl)-1H-pyridine-3-carboxamide
CID 91532319
azane;4-(2-fluorophenoxy)-6-methoxy-7-phenylmethoxyquinoline
CID 67265211
4-(2-fluoro-4-nitrosophenoxy)-7-methoxy-6-phenylmethoxyquinoline
CID 89208447
methyl 2-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxybenzoate
CID 175032455
3-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-4-hydroxy-1H-imidazol-2-one
CID 91145743
N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-methylcarbamothioyl]-2-phenylacetamide
CID 11443521
1-benzyl-4-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]piperazine-2,5-dione
CID 58751816
1-N'-[3-fluoro-4-[7-[3-(1-hydroxycyclopropyl)propoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 68636414
1-N'-[3-fluoro-4-[6-methoxy-7-(4-sulfanylbutoxy)quinolin-4-yl]oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 162532588
1-N'-[3-fluoro-4-[6-methoxy-7-(6-sulfanylhexoxy)quinolin-4-yl]oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 162532594
1-N'-[3-fluoro-4-[6-methoxy-7-(5-sulfanylpentoxy)quinolin-4-yl]oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 162532592

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-N-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-N-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide (CID 69396264) is N-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-N-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-N-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-N-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide is COc1cc2c(Oc3ccc(N(C(=O)c4ccc[nH]c4=O)c4ccc(F)cc4)cc3F)ccnc2cc1OCc1ccccc1.
What is the InChIKey of N-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-N-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is XTCQCPJERNXCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25F2N3O5/c1-43-32-19-27-29(20-33(32)44-21-22-6-3-2-4-7-22)38-17-15-30(27)45-31-14-13-25(18-28(31)37)40(24-11-9-23(36)10-12-24)35(42)26-8-5-16-39-34(26)41/h2-20H,21H2,1H3,(H,39,41).
What are the key properties of N-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-N-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide?
N-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-N-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 605.60 g/mol, XLogP of 7.56, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-N-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 69396264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).