N-[4-(6-amino-7-fluoroquinolin-4-yl)oxy-3,5-difluorophenyl]-4-methoxypyridine-3-carboxamide

C22H15F3N4O3 — CID 176567513

IUPACN-[4-(6-amino-7-fluoroquinolin-4-yl)oxy-3,5-difluorophenyl]-4-methoxypyridine-3-carboxamide
SMILESCOc1ccncc1C(=O)Nc1cc(F)c(Oc2ccnc3cc(F)c(N)cc23)c(F)c1
InChIInChI=1S/C22H15F3N4O3/c1-31-19-2-4-27-10-13(19)22(30)29-11-6-15(24)21(16(25)7-11)32-20-3-5-28-18-9-14(23)17(26)8-12(18)20/h2-10H,26H2,1H3,(H,29,30)
InChIKeyIGMFHTSGFTWWOW-UHFFFAOYSA-N
MW440.38 g/mol
LogP4.68
Rot. Bonds5

About N-[4-(6-amino-7-fluoroquinolin-4-yl)oxy-3,5-difluorophenyl]-4-methoxypyridine-3-carboxamide

N-[4-(6-amino-7-fluoroquinolin-4-yl)oxy-3,5-difluorophenyl]-4-methoxypyridine-3-carboxamide (PubChem CID 176567513) has the molecular formula C22H15F3N4O3 and a molecular weight of 440.38 g/mol. Its IUPAC name is N-[4-(6-amino-7-fluoroquinolin-4-yl)oxy-3,5-difluorophenyl]-4-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(6-amino-7-fluoroquinolin-4-yl)oxy-3,5-difluorophenyl]-4-methoxypyridine-3-carboxamide
PubChem CID176567513
Molecular FormulaC22H15F3N4O3
Molecular Weight440.38 g/mol
Exact Mass440.11
IUPAC NameN-[4-(6-amino-7-fluoroquinolin-4-yl)oxy-3,5-difluorophenyl]-4-methoxypyridine-3-carboxamide
SMILESCOc1ccncc1C(=O)Nc1cc(F)c(Oc2ccnc3cc(F)c(N)cc23)c(F)c1
InChIInChI=1S/C22H15F3N4O3/c1-31-19-2-4-27-10-13(19)22(30)29-11-6-15(24)21(16(25)7-11)32-20-3-5-28-18-9-14(23)17(26)8-12(18)20/h2-10H,26H2,1H3,(H,29,30)
InChIKeyIGMFHTSGFTWWOW-UHFFFAOYSA-N
XLogP4.68
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.38
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3,5-difluoro-4-[7-(2-hydroxy-2-methylpropoxy)-6-methoxyquinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide
CID 168842960
4-cyclopropyloxy-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]pyridine-3-carboxamide
CID 168842883
N-[4-[(7-chloro-5-methoxy-1,6-naphthyridin-4-yl)oxy]-3,5-difluorophenyl]-4-methoxypyridine-3-carboxamide
CID 176567509
N-[4-(7-ethoxyquinolin-4-yl)oxy-3-fluoro-5-iodophenyl]-4-methoxypyridine-3-carboxamide
CID 170006587
4-cyclobutyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[3-(methylamino)propoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide
CID 168842787
N-[3,5-difluoro-4-[6-(hydroxymethyl)-7-[3-(methylamino)propoxy]quinolin-4-yl]oxyphenyl]-4-ethoxypyridine-3-carboxamide
CID 169045756
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]-6-methoxy-1H-indazole-5-carboxamide
CID 178180015
4-cyclopropyloxy-N-[3,5-difluoro-4-[7-[(2S)-2-hydroxypropoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide
CID 168842830
4-chloro-N-[3,5-difluoro-4-[[7-(2-hydroxyethoxy)-6-methoxy-1,5-naphthyridin-4-yl]oxy]phenyl]pyridine-3-carboxamide
CID 168842891
N-[3,5-difluoro-4-[[6-(hydroxymethyl)-7-[3-(methylamino)propoxy]quinolin-4-yl]amino]phenyl]-4-methoxypyridine-3-carboxamide
CID 169045753
N-[4-[(5-cyclopropyl-1,6-naphthyridin-4-yl)oxy]-3,5-difluorophenyl]-4-cyclopropyloxypyridine-3-carboxamide
CID 176567511
4-cyclopropyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-6-methylpyridine-3-carboxamide
CID 168842767

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-amino-7-fluoroquinolin-4-yl)oxy-3,5-difluorophenyl]-4-methoxypyridine-3-carboxamide?
The IUPAC name of N-[4-(6-amino-7-fluoroquinolin-4-yl)oxy-3,5-difluorophenyl]-4-methoxypyridine-3-carboxamide (CID 176567513) is N-[4-(6-amino-7-fluoroquinolin-4-yl)oxy-3,5-difluorophenyl]-4-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[4-(6-amino-7-fluoroquinolin-4-yl)oxy-3,5-difluorophenyl]-4-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[4-(6-amino-7-fluoroquinolin-4-yl)oxy-3,5-difluorophenyl]-4-methoxypyridine-3-carboxamide is COc1ccncc1C(=O)Nc1cc(F)c(Oc2ccnc3cc(F)c(N)cc23)c(F)c1.
What is the InChIKey of N-[4-(6-amino-7-fluoroquinolin-4-yl)oxy-3,5-difluorophenyl]-4-methoxypyridine-3-carboxamide?
The InChIKey is IGMFHTSGFTWWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N4O3/c1-31-19-2-4-27-10-13(19)22(30)29-11-6-15(24)21(16(25)7-11)32-20-3-5-28-18-9-14(23)17(26)8-12(18)20/h2-10H,26H2,1H3,(H,29,30).
What are the key properties of N-[4-(6-amino-7-fluoroquinolin-4-yl)oxy-3,5-difluorophenyl]-4-methoxypyridine-3-carboxamide?
N-[4-(6-amino-7-fluoroquinolin-4-yl)oxy-3,5-difluorophenyl]-4-methoxypyridine-3-carboxamide has a molecular weight of 440.38 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-amino-7-fluoroquinolin-4-yl)oxy-3,5-difluorophenyl]-4-methoxypyridine-3-carboxamide is sourced from PubChem (CID 176567513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).