6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methyl-N-[4-(trifluoromethyl)phenyl]indazol-3-amine

C26H21F3N4O3 — CID 44562372

IUPAC6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methyl-N-[4-(trifluoromethyl)phenyl]indazol-3-amine
SMILESCOc1cc2nccc(Oc3ccc4c(Nc5ccc(C(F)(F)F)cc5)nn(C)c4c3)c2cc1OC
InChIInChI=1S/C26H21F3N4O3/c1-33-21-12-17(36-22-10-11-30-20-14-24(35-3)23(34-2)13-19(20)22)8-9-18(21)25(32-33)31-16-6-4-15(5-7-16)26(27,28)29/h4-14H,1-3H3,(H,31,32)
InChIKeyUXFAPZKWKVGBBM-UHFFFAOYSA-N
MW494.47 g/mol
LogP6.69
Rot. Bonds6

About 6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methyl-N-[4-(trifluoromethyl)phenyl]indazol-3-amine

6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methyl-N-[4-(trifluoromethyl)phenyl]indazol-3-amine (PubChem CID 44562372) has the molecular formula C26H21F3N4O3 and a molecular weight of 494.47 g/mol. Its IUPAC name is 6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methyl-N-[4-(trifluoromethyl)phenyl]indazol-3-amine.

Molecular Properties

Compound Name6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methyl-N-[4-(trifluoromethyl)phenyl]indazol-3-amine
PubChem CID44562372
Molecular FormulaC26H21F3N4O3
Molecular Weight494.47 g/mol
Exact Mass494.16
IUPAC Name6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methyl-N-[4-(trifluoromethyl)phenyl]indazol-3-amine
SMILESCOc1cc2nccc(Oc3ccc4c(Nc5ccc(C(F)(F)F)cc5)nn(C)c4c3)c2cc1OC
InChIInChI=1S/C26H21F3N4O3/c1-33-21-12-17(36-22-10-11-30-20-14-24(35-3)23(34-2)13-19(20)22)8-9-18(21)25(32-33)31-16-6-4-15(5-7-16)26(27,28)29/h4-14H,1-3H3,(H,31,32)
InChIKeyUXFAPZKWKVGBBM-UHFFFAOYSA-N
XLogP6.69
TPSA70.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.47
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-phenylaniline
CID 23022656
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-[4-(trifluoromethyl)phenyl]urea
CID 54212873
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674
2-amino-4-[6-methoxy-4-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-7-yl]oxybutanoic acid
CID 67264759
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;methanethiol
CID 165143775
methane;4,6,7-trimethoxyquinoline
CID 157066291
2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-phenylpyridine-3-carboxamide
CID 24966402
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[4-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide
CID 11387053
4-[3-fluoro-4-(4-propan-2-ylanilino)phenoxy]-6-methoxyquinolin-7-ol
CID 142235099
1-(4-tert-butylphenyl)-3-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]thiourea
CID 59813737
[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]phosphane
CID 155331458

Frequently Asked Questions

What is the IUPAC name of 6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methyl-N-[4-(trifluoromethyl)phenyl]indazol-3-amine?
The IUPAC name of 6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methyl-N-[4-(trifluoromethyl)phenyl]indazol-3-amine (CID 44562372) is 6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methyl-N-[4-(trifluoromethyl)phenyl]indazol-3-amine.
What is the SMILES notation for 6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methyl-N-[4-(trifluoromethyl)phenyl]indazol-3-amine?
The canonical SMILES for 6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methyl-N-[4-(trifluoromethyl)phenyl]indazol-3-amine is COc1cc2nccc(Oc3ccc4c(Nc5ccc(C(F)(F)F)cc5)nn(C)c4c3)c2cc1OC.
What is the InChIKey of 6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methyl-N-[4-(trifluoromethyl)phenyl]indazol-3-amine?
The InChIKey is UXFAPZKWKVGBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N4O3/c1-33-21-12-17(36-22-10-11-30-20-14-24(35-3)23(34-2)13-19(20)22)8-9-18(21)25(32-33)31-16-6-4-15(5-7-16)26(27,28)29/h4-14H,1-3H3,(H,31,32).
What are the key properties of 6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methyl-N-[4-(trifluoromethyl)phenyl]indazol-3-amine?
6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methyl-N-[4-(trifluoromethyl)phenyl]indazol-3-amine has a molecular weight of 494.47 g/mol, XLogP of 6.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methyl-N-[4-(trifluoromethyl)phenyl]indazol-3-amine is sourced from PubChem (CID 44562372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).