N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-5-(4-fluorophenyl)-1-(oxan-4-yl)-4-oxopyridine-3-carboxamide

C33H29FN4O6 — CID 139336947

IUPACN-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-5-(4-fluorophenyl)-1-(oxan-4-yl)-4-oxopyridine-3-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)c4cn(C5CCOCC5)cc(-c5ccc(F)cc5)c4=O)nc3)c2cc1OC
InChIInChI=1S/C33H29FN4O6/c1-41-29-15-24-27(16-30(29)42-2)35-12-9-28(24)44-23-7-8-31(36-17-23)37-33(40)26-19-38(22-10-13-43-14-11-22)18-25(32(26)39)20-3-5-21(34)6-4-20/h3-9,12,15-19,22H,10-11,13-14H2,1-2H3,(H,36,37,40)
InChIKeyHCTHDBHGNNPOCH-UHFFFAOYSA-N
MW596.62 g/mol
LogP6.01
Rot. Bonds8

About N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-5-(4-fluorophenyl)-1-(oxan-4-yl)-4-oxopyridine-3-carboxamide

N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-5-(4-fluorophenyl)-1-(oxan-4-yl)-4-oxopyridine-3-carboxamide (PubChem CID 139336947) has the molecular formula C33H29FN4O6 and a molecular weight of 596.62 g/mol. Its IUPAC name is N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-5-(4-fluorophenyl)-1-(oxan-4-yl)-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-5-(4-fluorophenyl)-1-(oxan-4-yl)-4-oxopyridine-3-carboxamide
PubChem CID139336947
Molecular FormulaC33H29FN4O6
Molecular Weight596.62 g/mol
Exact Mass596.21
IUPAC NameN-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-5-(4-fluorophenyl)-1-(oxan-4-yl)-4-oxopyridine-3-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)c4cn(C5CCOCC5)cc(-c5ccc(F)cc5)c4=O)nc3)c2cc1OC
InChIInChI=1S/C33H29FN4O6/c1-41-29-15-24-27(16-30(29)42-2)35-12-9-28(24)44-23-7-8-31(36-17-23)37-33(40)26-19-38(22-10-13-43-14-11-22)18-25(32(26)39)20-3-5-21(34)6-4-20/h3-9,12,15-19,22H,10-11,13-14H2,1-2H3,(H,36,37,40)
InChIKeyHCTHDBHGNNPOCH-UHFFFAOYSA-N
XLogP6.01
TPSA113.80 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.62
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-5-(4-fluorophenyl)-1-(oxan-4-yl)-4-oxopyridine-3-carboxamide 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

1-cyclopropyl-3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetyl]-5-(4-fluorophenyl)pyridin-4-one
CID 163609579
1-cyclopropyl-3-[2-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-3-pyridinyl]acetyl]-5-(4-fluorophenyl)pyridin-4-one
CID 167669509
N-[5-([1,3]dioxolo[4,5-g]quinolin-8-yloxy)-2-pyridinyl]-5-(4-methylphenyl)-1-(oxan-4-yl)-4-oxopyridazine-3-carboxamide
CID 139336930
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-(oxolan-3-yl)pyrazole-3-carboxamide;methoxyethane
CID 145169594
3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-methylpyridin-4-one
CID 159384472
1-cyclopropyl-N-[2-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-5-yl]-5-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide
CID 146418786
1-cyclopropyl-3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetyl]-5-(4-fluorophenyl)pyridazin-4-one
CID 163439084
(2E,4Z)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-5-(4-fluoro-N-methylanilino)-2-formyl-4-(oxan-4-ylmethyl)penta-2,4-dienamide
CID 139336960
4-(cyclopropylmethoxy)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-1-(4-fluoro-2-phenoxyphenyl)pyrazole-3-carboxamide
CID 134392253
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-N-methyl-5-(4-methylphenyl)-1-(oxan-4-yl)-4-oxopyridazine-3-carboxamide
CID 139336944
2-bromo-N-[5-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-2-pyridinyl]-1,3-thiazole-4-carboxamide
CID 150731485
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-ethylpyrazole-5-carboxamide
CID 122633132

Frequently Asked Questions

What is the IUPAC name of N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-5-(4-fluorophenyl)-1-(oxan-4-yl)-4-oxopyridine-3-carboxamide?
The IUPAC name of N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-5-(4-fluorophenyl)-1-(oxan-4-yl)-4-oxopyridine-3-carboxamide (CID 139336947) is N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-5-(4-fluorophenyl)-1-(oxan-4-yl)-4-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-5-(4-fluorophenyl)-1-(oxan-4-yl)-4-oxopyridine-3-carboxamide?
The canonical SMILES for N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-5-(4-fluorophenyl)-1-(oxan-4-yl)-4-oxopyridine-3-carboxamide is COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C5CCOCC5)cc(-c5ccc(F)cc5)c4=O)nc3)c2cc1OC.
What is the InChIKey of N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-5-(4-fluorophenyl)-1-(oxan-4-yl)-4-oxopyridine-3-carboxamide?
The InChIKey is HCTHDBHGNNPOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29FN4O6/c1-41-29-15-24-27(16-30(29)42-2)35-12-9-28(24)44-23-7-8-31(36-17-23)37-33(40)26-19-38(22-10-13-43-14-11-22)18-25(32(26)39)20-3-5-21(34)6-4-20/h3-9,12,15-19,22H,10-11,13-14H2,1-2H3,(H,36,37,40).
What are the key properties of N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-5-(4-fluorophenyl)-1-(oxan-4-yl)-4-oxopyridine-3-carboxamide?
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-5-(4-fluorophenyl)-1-(oxan-4-yl)-4-oxopyridine-3-carboxamide has a molecular weight of 596.62 g/mol, XLogP of 6.01, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-5-(4-fluorophenyl)-1-(oxan-4-yl)-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 139336947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).