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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).