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

C26H20ClFN4O4 — CID 11409568

IUPAC3-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]-4-fluorobenzamide
SMILESCOc1cc2nccc(Oc3ccc4c(NC(=O)c5ccc(F)c(Cl)c5)nn(C)c4c3)c2cc1OC
InChIInChI=1S/C26H20ClFN4O4/c1-32-21-11-15(36-22-8-9-29-20-13-24(35-3)23(34-2)12-17(20)22)5-6-16(21)25(31-32)30-26(33)14-4-7-19(28)18(27)10-14/h4-13H,1-3H3,(H,30,31,33)
InChIKeyGUWVBQMRCXNYMQ-UHFFFAOYSA-N
MW506.92 g/mol
LogP5.98
Rot. Bonds6

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

3-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]-4-fluorobenzamide (PubChem CID 11409568) has the molecular formula C26H20ClFN4O4 and a molecular weight of 506.92 g/mol. Its IUPAC name is 3-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]-4-fluorobenzamide
PubChem CID11409568
Molecular FormulaC26H20ClFN4O4
Molecular Weight506.92 g/mol
Exact Mass506.12
IUPAC Name3-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]-4-fluorobenzamide
SMILESCOc1cc2nccc(Oc3ccc4c(NC(=O)c5ccc(F)c(Cl)c5)nn(C)c4c3)c2cc1OC
InChIInChI=1S/C26H20ClFN4O4/c1-32-21-11-15(36-22-8-9-29-20-13-24(35-3)23(34-2)12-17(20)22)5-6-16(21)25(31-32)30-26(33)14-4-7-19(28)18(27)10-14/h4-13H,1-3H3,(H,30,31,33)
InChIKeyGUWVBQMRCXNYMQ-UHFFFAOYSA-N
XLogP5.98
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.92
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]-4-fluorobenzamide?
The IUPAC name of 3-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]-4-fluorobenzamide (CID 11409568) is 3-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]-4-fluorobenzamide.
What is the SMILES notation for 3-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]-4-fluorobenzamide?
The canonical SMILES for 3-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]-4-fluorobenzamide is COc1cc2nccc(Oc3ccc4c(NC(=O)c5ccc(F)c(Cl)c5)nn(C)c4c3)c2cc1OC.
What is the InChIKey of 3-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]-4-fluorobenzamide?
The InChIKey is GUWVBQMRCXNYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClFN4O4/c1-32-21-11-15(36-22-8-9-29-20-13-24(35-3)23(34-2)12-17(20)22)5-6-16(21)25(31-32)30-26(33)14-4-7-19(28)18(27)10-14/h4-13H,1-3H3,(H,30,31,33).
What are the key properties of 3-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]-4-fluorobenzamide?
3-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]-4-fluorobenzamide has a molecular weight of 506.92 g/mol, XLogP of 5.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]-4-fluorobenzamide is sourced from PubChem (CID 11409568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).