4-cyclopropyloxy-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]pyridine-3-carboxamide

C26H21F2N3O5 — CID 168842883

IUPAC4-cyclopropyloxy-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]pyridine-3-carboxamide
SMILESCOc1cc2nccc(Oc3c(F)cc(NC(=O)c4cnccc4OC4CC4)cc3F)c2cc1OC
InChIInChI=1S/C26H21F2N3O5/c1-33-23-11-16-20(12-24(23)34-2)30-8-6-21(16)36-25-18(27)9-14(10-19(25)28)31-26(32)17-13-29-7-5-22(17)35-15-3-4-15/h5-13,15H,3-4H2,1-2H3,(H,31,32)
InChIKeyCNDSTZZOEAHWKI-UHFFFAOYSA-N
MW493.47 g/mol
LogP5.51
Rot. Bonds8

About 4-cyclopropyloxy-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]pyridine-3-carboxamide

4-cyclopropyloxy-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]pyridine-3-carboxamide (PubChem CID 168842883) has the molecular formula C26H21F2N3O5 and a molecular weight of 493.47 g/mol. Its IUPAC name is 4-cyclopropyloxy-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-cyclopropyloxy-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]pyridine-3-carboxamide
PubChem CID168842883
Molecular FormulaC26H21F2N3O5
Molecular Weight493.47 g/mol
Exact Mass493.14
IUPAC Name4-cyclopropyloxy-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]pyridine-3-carboxamide
SMILESCOc1cc2nccc(Oc3c(F)cc(NC(=O)c4cnccc4OC4CC4)cc3F)c2cc1OC
InChIInChI=1S/C26H21F2N3O5/c1-33-23-11-16-20(12-24(23)34-2)30-8-6-21(16)36-25-18(27)9-14(10-19(25)28)31-26(32)17-13-29-7-5-22(17)35-15-3-4-15/h5-13,15H,3-4H2,1-2H3,(H,31,32)
InChIKeyCNDSTZZOEAHWKI-UHFFFAOYSA-N
XLogP5.51
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.47
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-[7-(2-hydroxy-2-methylpropoxy)-6-methoxyquinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide
CID 168842960
4-cyclopropyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-6-methylpyridine-3-carboxamide
CID 168842767
4-cyclopropyloxy-N-[3,5-difluoro-4-[7-[(2S)-2-hydroxypropoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide
CID 168842830
N-[4-(6-amino-7-fluoroquinolin-4-yl)oxy-3,5-difluorophenyl]-4-methoxypyridine-3-carboxamide
CID 176567513
N-[4-[(5-cyclopropyl-1,6-naphthyridin-4-yl)oxy]-3,5-difluorophenyl]-4-cyclopropyloxypyridine-3-carboxamide
CID 176567511
2-cyclopropyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide
CID 168842926
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]-6-methoxy-1H-indazole-5-carboxamide
CID 178180015
N-[4-(7-ethoxyquinolin-4-yl)oxy-3-fluoro-5-iodophenyl]-4-methoxypyridine-3-carboxamide
CID 170006587
N-[4-[(7-chloro-5-methoxy-1,6-naphthyridin-4-yl)oxy]-3,5-difluorophenyl]-4-methoxypyridine-3-carboxamide
CID 176567509
4-cyclobutyloxypyridine-3-carbaldehyde;3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxy-N-methylaniline
CID 168943048
N-[3,5-difluoro-4-[6-(hydroxymethyl)-7-[3-(methylamino)propoxy]quinolin-4-yl]oxyphenyl]-4-ethoxypyridine-3-carboxamide
CID 169045756

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyloxy-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]pyridine-3-carboxamide?
The IUPAC name of 4-cyclopropyloxy-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]pyridine-3-carboxamide (CID 168842883) is 4-cyclopropyloxy-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-cyclopropyloxy-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]pyridine-3-carboxamide?
The canonical SMILES for 4-cyclopropyloxy-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]pyridine-3-carboxamide is COc1cc2nccc(Oc3c(F)cc(NC(=O)c4cnccc4OC4CC4)cc3F)c2cc1OC.
What is the InChIKey of 4-cyclopropyloxy-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]pyridine-3-carboxamide?
The InChIKey is CNDSTZZOEAHWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2N3O5/c1-33-23-11-16-20(12-24(23)34-2)30-8-6-21(16)36-25-18(27)9-14(10-19(25)28)31-26(32)17-13-29-7-5-22(17)35-15-3-4-15/h5-13,15H,3-4H2,1-2H3,(H,31,32).
What are the key properties of 4-cyclopropyloxy-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]pyridine-3-carboxamide?
4-cyclopropyloxy-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]pyridine-3-carboxamide has a molecular weight of 493.47 g/mol, XLogP of 5.51, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyloxy-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]pyridine-3-carboxamide is sourced from PubChem (CID 168842883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).