4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]benzamide

C26H21ClN4O4 — CID 11443197

IUPAC4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]benzamide
SMILESCOc1cc2nccc(Oc3ccc4c(NC(=O)c5ccc(Cl)cc5)nn(C)c4c3)c2cc1OC
InChIInChI=1S/C26H21ClN4O4/c1-31-21-12-17(35-22-10-11-28-20-14-24(34-3)23(33-2)13-19(20)22)8-9-18(21)25(30-31)29-26(32)15-4-6-16(27)7-5-15/h4-14H,1-3H3,(H,29,30,32)
InChIKeyWBDUDLHFPDBXDA-UHFFFAOYSA-N
MW488.93 g/mol
LogP5.84
Rot. Bonds6

About 4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]benzamide

4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]benzamide (PubChem CID 11443197) has the molecular formula C26H21ClN4O4 and a molecular weight of 488.93 g/mol. Its IUPAC name is 4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]benzamide
PubChem CID11443197
Molecular FormulaC26H21ClN4O4
Molecular Weight488.93 g/mol
Exact Mass488.13
IUPAC Name4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]benzamide
SMILESCOc1cc2nccc(Oc3ccc4c(NC(=O)c5ccc(Cl)cc5)nn(C)c4c3)c2cc1OC
InChIInChI=1S/C26H21ClN4O4/c1-31-21-12-17(35-22-10-11-28-20-14-24(34-3)23(33-2)13-19(20)22)8-9-18(21)25(30-31)29-26(32)15-4-6-16(27)7-5-15/h4-14H,1-3H3,(H,29,30,32)
InChIKeyWBDUDLHFPDBXDA-UHFFFAOYSA-N
XLogP5.84
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.93
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(6-(6,7-dimethoxyquinolin-4-yloxy)-1-methyl-1H-indazol-3-yl)-3-(4-methoxyphenyl)urea
CID 11225774
Benzamide, N-[6-[(6,7-dimethoxy-4-quinolinyl)oxy]-1-methyl-1H-indazol-3-yl]-3-(trifluoromethyl)-
CID 11398307
2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
CID 70694007
1-(6-(6,7-dimethoxyquinolin-4-yloxy)-1-methyl-1H-indazol-3-yl)-3-p-tolylurea
CID 11167612
4-chloro-N-(6-(6,7-dimethoxyquinolin-4-yloxy)-1-methyl-1H-indazol-3-yl)picolinamide
CID 11248850
1-(6-(6,7-dimethoxyquinolin-4-yloxy)-1-methyl-1H-indazol-3-yl)-3-phenylurea
CID 11340353
N-(6-(6,7-dimethoxyquinolin-4-yloxy)-1-methyl-1H-indazol-3-yl)-3-methylbenzamide
CID 11363357
N-(6-((6,7-bis(methyloxy)-4-quinolinyl)oxy)-1-methyl-1H-indazol-3-yl)-4-(methyloxy)benzamide
CID 11363728
3-chloro-N-(6-(6,7-dimethoxyquinolin-4-yloxy)-1-methyl-1H-indazol-3-yl)-4-fluorobenzamide
CID 11409568
N-(6-(6,7-dimethoxyquinolin-4-yloxy)-1-methyl-1H-indazol-3-yl)-3,5-bis(trifluoromethyl)benzamide
CID 11444696
N-(6-(6,7-dimethoxyquinolin-4-yloxy)-1-methyl-1H-indazol-3-yl)-4-(trifluoromethyl)benzamide
CID 11466569
n-(1-Ethylpyrazol-3-yl)-2-[4-(6,7-dimethoxyquinazolin-4-yloxy)phenyl]acetamide
CID 11633427

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]benzamide?
The IUPAC name of 4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]benzamide (CID 11443197) is 4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]benzamide?
The canonical SMILES for 4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]benzamide is COc1cc2nccc(Oc3ccc4c(NC(=O)c5ccc(Cl)cc5)nn(C)c4c3)c2cc1OC.
What is the InChIKey of 4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]benzamide?
The InChIKey is WBDUDLHFPDBXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN4O4/c1-31-21-12-17(35-22-10-11-28-20-14-24(34-3)23(33-2)13-19(20)22)8-9-18(21)25(30-31)29-26(32)15-4-6-16(27)7-5-15/h4-14H,1-3H3,(H,29,30,32).
What are the key properties of 4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]benzamide?
4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]benzamide has a molecular weight of 488.93 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]benzamide is sourced from PubChem (CID 11443197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).