N-[4-(7-ethoxyquinolin-4-yl)oxy-3-fluoro-5-iodophenyl]-4-methoxypyridine-3-carboxamide

C24H19FIN3O4 — CID 170006587

IUPACN-[4-(7-ethoxyquinolin-4-yl)oxy-3-fluoro-5-iodophenyl]-4-methoxypyridine-3-carboxamide
SMILESCCOc1ccc2c(Oc3c(F)cc(NC(=O)c4cnccc4OC)cc3I)ccnc2c1
InChIInChI=1S/C24H19FIN3O4/c1-3-32-15-4-5-16-20(12-15)28-9-7-22(16)33-23-18(25)10-14(11-19(23)26)29-24(30)17-13-27-8-6-21(17)31-2/h4-13H,3H2,1-2H3,(H,29,30)
InChIKeyDALJCMUQHQUGCX-UHFFFAOYSA-N
MW559.34 g/mol
LogP5.83
Rot. Bonds7

About N-[4-(7-ethoxyquinolin-4-yl)oxy-3-fluoro-5-iodophenyl]-4-methoxypyridine-3-carboxamide

N-[4-(7-ethoxyquinolin-4-yl)oxy-3-fluoro-5-iodophenyl]-4-methoxypyridine-3-carboxamide (PubChem CID 170006587) has the molecular formula C24H19FIN3O4 and a molecular weight of 559.34 g/mol. Its IUPAC name is N-[4-(7-ethoxyquinolin-4-yl)oxy-3-fluoro-5-iodophenyl]-4-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(7-ethoxyquinolin-4-yl)oxy-3-fluoro-5-iodophenyl]-4-methoxypyridine-3-carboxamide
PubChem CID170006587
Molecular FormulaC24H19FIN3O4
Molecular Weight559.34 g/mol
Exact Mass559.04
IUPAC NameN-[4-(7-ethoxyquinolin-4-yl)oxy-3-fluoro-5-iodophenyl]-4-methoxypyridine-3-carboxamide
SMILESCCOc1ccc2c(Oc3c(F)cc(NC(=O)c4cnccc4OC)cc3I)ccnc2c1
InChIInChI=1S/C24H19FIN3O4/c1-3-32-15-4-5-16-20(12-15)28-9-7-22(16)33-23-18(25)10-14(11-19(23)26)29-24(30)17-13-27-8-6-21(17)31-2/h4-13H,3H2,1-2H3,(H,29,30)
InChIKeyDALJCMUQHQUGCX-UHFFFAOYSA-N
XLogP5.83
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.34
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(6-amino-7-fluoroquinolin-4-yl)oxy-3,5-difluorophenyl]-4-methoxypyridine-3-carboxamide
CID 176567513
4-cyclopropyloxy-N-[3,5-difluoro-4-[7-[(2S)-2-hydroxypropoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide
CID 168842830
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
4-ethoxy-N-[4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxy-3,5-bis(phosphanyl)phenyl]pyridine-3-carboxamide
CID 170005576
N-[3,5-difluoro-4-[6-(hydroxymethyl)-7-[3-(methylamino)propoxy]quinolin-4-yl]oxyphenyl]-4-ethoxypyridine-3-carboxamide
CID 169045756
N-[4-[(7-chloro-5-methoxy-1,6-naphthyridin-4-yl)oxy]-3,5-difluorophenyl]-4-methoxypyridine-3-carboxamide
CID 176567509
4-cyclobutyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[3-(methylamino)propoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide
CID 168842787
1-[4-[2,6-difluoro-4-(methylamino)phenoxy]quinolin-7-yl]oxy-2-methylpropan-2-ol;4-methoxypyridine-3-carbaldehyde
CID 168942957
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(7-ethoxyquinolin-4-yl)oxy-3-fluoro-5-iodophenyl]-4-methoxypyridine-3-carboxamide?
The IUPAC name of N-[4-(7-ethoxyquinolin-4-yl)oxy-3-fluoro-5-iodophenyl]-4-methoxypyridine-3-carboxamide (CID 170006587) is N-[4-(7-ethoxyquinolin-4-yl)oxy-3-fluoro-5-iodophenyl]-4-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[4-(7-ethoxyquinolin-4-yl)oxy-3-fluoro-5-iodophenyl]-4-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[4-(7-ethoxyquinolin-4-yl)oxy-3-fluoro-5-iodophenyl]-4-methoxypyridine-3-carboxamide is CCOc1ccc2c(Oc3c(F)cc(NC(=O)c4cnccc4OC)cc3I)ccnc2c1.
What is the InChIKey of N-[4-(7-ethoxyquinolin-4-yl)oxy-3-fluoro-5-iodophenyl]-4-methoxypyridine-3-carboxamide?
The InChIKey is DALJCMUQHQUGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FIN3O4/c1-3-32-15-4-5-16-20(12-15)28-9-7-22(16)33-23-18(25)10-14(11-19(23)26)29-24(30)17-13-27-8-6-21(17)31-2/h4-13H,3H2,1-2H3,(H,29,30).
What are the key properties of N-[4-(7-ethoxyquinolin-4-yl)oxy-3-fluoro-5-iodophenyl]-4-methoxypyridine-3-carboxamide?
N-[4-(7-ethoxyquinolin-4-yl)oxy-3-fluoro-5-iodophenyl]-4-methoxypyridine-3-carboxamide has a molecular weight of 559.34 g/mol, XLogP of 5.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-ethoxyquinolin-4-yl)oxy-3-fluoro-5-iodophenyl]-4-methoxypyridine-3-carboxamide is sourced from PubChem (CID 170006587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).