N-[3,5-difluoro-4-[7-(2-hydroxy-2-methylpropoxy)-6-methoxyquinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide

C27H25F2N3O6 — CID 168842960

IUPACN-[3,5-difluoro-4-[7-(2-hydroxy-2-methylpropoxy)-6-methoxyquinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide
SMILESCOc1cc2c(Oc3c(F)cc(NC(=O)c4cnccc4OC)cc3F)ccnc2cc1OCC(C)(C)O
InChIInChI=1S/C27H25F2N3O6/c1-27(2,34)14-37-24-12-20-16(11-23(24)36-4)22(6-8-31-20)38-25-18(28)9-15(10-19(25)29)32-26(33)17-13-30-7-5-21(17)35-3/h5-13,34H,14H2,1-4H3,(H,32,33)
InChIKeyIVDOMEICPUQNIU-UHFFFAOYSA-N
MW525.51 g/mol
LogP5.12
Rot. Bonds9

About N-[3,5-difluoro-4-[7-(2-hydroxy-2-methylpropoxy)-6-methoxyquinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide

N-[3,5-difluoro-4-[7-(2-hydroxy-2-methylpropoxy)-6-methoxyquinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide (PubChem CID 168842960) has the molecular formula C27H25F2N3O6 and a molecular weight of 525.51 g/mol. Its IUPAC name is N-[3,5-difluoro-4-[7-(2-hydroxy-2-methylpropoxy)-6-methoxyquinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3,5-difluoro-4-[7-(2-hydroxy-2-methylpropoxy)-6-methoxyquinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide
PubChem CID168842960
Molecular FormulaC27H25F2N3O6
Molecular Weight525.51 g/mol
Exact Mass525.17
IUPAC NameN-[3,5-difluoro-4-[7-(2-hydroxy-2-methylpropoxy)-6-methoxyquinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide
SMILESCOc1cc2c(Oc3c(F)cc(NC(=O)c4cnccc4OC)cc3F)ccnc2cc1OCC(C)(C)O
InChIInChI=1S/C27H25F2N3O6/c1-27(2,34)14-37-24-12-20-16(11-23(24)36-4)22(6-8-31-20)38-25-18(28)9-15(10-19(25)29)32-26(33)17-13-30-7-5-21(17)35-3/h5-13,34H,14H2,1-4H3,(H,32,33)
InChIKeyIVDOMEICPUQNIU-UHFFFAOYSA-N
XLogP5.12
TPSA112.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.51
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-cyclopropyloxy-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]pyridine-3-carboxamide
CID 168842883
N-[4-(6-amino-7-fluoroquinolin-4-yl)oxy-3,5-difluorophenyl]-4-methoxypyridine-3-carboxamide
CID 176567513
4-cyclobutyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[3-(methylamino)propoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide
CID 168842787
3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxy-N-methylaniline;4-(2-hydroxy-2-methylpropoxy)pyridine-3-carbaldehyde
CID 168943023
N-[4-(7-ethoxyquinolin-4-yl)oxy-3-fluoro-5-iodophenyl]-4-methoxypyridine-3-carboxamide
CID 170006587
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]-6-methoxy-1H-indazole-5-carboxamide
CID 178180015
N-[4-[(7-chloro-5-methoxy-1,6-naphthyridin-4-yl)oxy]-3,5-difluorophenyl]-4-methoxypyridine-3-carboxamide
CID 176567509
4-cyclopropyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-6-methylpyridine-3-carboxamide
CID 168842767
N-[3,5-difluoro-4-[6-(hydroxymethyl)-7-[3-(methylamino)propoxy]quinolin-4-yl]oxyphenyl]-4-ethoxypyridine-3-carboxamide
CID 169045756
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
2-cyclopropyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide
CID 168842926

Frequently Asked Questions

What is the IUPAC name of N-[3,5-difluoro-4-[7-(2-hydroxy-2-methylpropoxy)-6-methoxyquinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide?
The IUPAC name of N-[3,5-difluoro-4-[7-(2-hydroxy-2-methylpropoxy)-6-methoxyquinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide (CID 168842960) is N-[3,5-difluoro-4-[7-(2-hydroxy-2-methylpropoxy)-6-methoxyquinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[3,5-difluoro-4-[7-(2-hydroxy-2-methylpropoxy)-6-methoxyquinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[3,5-difluoro-4-[7-(2-hydroxy-2-methylpropoxy)-6-methoxyquinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide is COc1cc2c(Oc3c(F)cc(NC(=O)c4cnccc4OC)cc3F)ccnc2cc1OCC(C)(C)O.
What is the InChIKey of N-[3,5-difluoro-4-[7-(2-hydroxy-2-methylpropoxy)-6-methoxyquinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide?
The InChIKey is IVDOMEICPUQNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N3O6/c1-27(2,34)14-37-24-12-20-16(11-23(24)36-4)22(6-8-31-20)38-25-18(28)9-15(10-19(25)29)32-26(33)17-13-30-7-5-21(17)35-3/h5-13,34H,14H2,1-4H3,(H,32,33).
What are the key properties of N-[3,5-difluoro-4-[7-(2-hydroxy-2-methylpropoxy)-6-methoxyquinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide?
N-[3,5-difluoro-4-[7-(2-hydroxy-2-methylpropoxy)-6-methoxyquinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide has a molecular weight of 525.51 g/mol, XLogP of 5.12, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-difluoro-4-[7-(2-hydroxy-2-methylpropoxy)-6-methoxyquinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide is sourced from PubChem (CID 168842960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).