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

C27H24N4O4 — CID 11363357

IUPACN-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]-3-methylbenzamide
SMILESCOc1cc2nccc(Oc3ccc4c(NC(=O)c5cccc(C)c5)nn(C)c4c3)c2cc1OC
InChIInChI=1S/C27H24N4O4/c1-16-6-5-7-17(12-16)27(32)29-26-19-9-8-18(13-22(19)31(2)30-26)35-23-10-11-28-21-15-25(34-4)24(33-3)14-20(21)23/h5-15H,1-4H3,(H,29,30,32)
InChIKeyBZVGJBKNGHLTGD-UHFFFAOYSA-N
MW468.51 g/mol
LogP5.49
Rot. Bonds6

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

N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]-3-methylbenzamide (PubChem CID 11363357) has the molecular formula C27H24N4O4 and a molecular weight of 468.51 g/mol. Its IUPAC name is N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]-3-methylbenzamide
PubChem CID11363357
Molecular FormulaC27H24N4O4
Molecular Weight468.51 g/mol
Exact Mass468.18
IUPAC NameN-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]-3-methylbenzamide
SMILESCOc1cc2nccc(Oc3ccc4c(NC(=O)c5cccc(C)c5)nn(C)c4c3)c2cc1OC
InChIInChI=1S/C27H24N4O4/c1-16-6-5-7-17(12-16)27(32)29-26-19-9-8-18(13-22(19)31(2)30-26)35-23-10-11-28-21-15-25(34-4)24(33-3)14-20(21)23/h5-15H,1-4H3,(H,29,30,32)
InChIKeyBZVGJBKNGHLTGD-UHFFFAOYSA-N
XLogP5.49
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.51
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]-3-methylbenzamide?
The IUPAC name of N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]-3-methylbenzamide (CID 11363357) is N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]-3-methylbenzamide.
What is the SMILES notation for N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]-3-methylbenzamide?
The canonical SMILES for N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]-3-methylbenzamide is COc1cc2nccc(Oc3ccc4c(NC(=O)c5cccc(C)c5)nn(C)c4c3)c2cc1OC.
What is the InChIKey of N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]-3-methylbenzamide?
The InChIKey is BZVGJBKNGHLTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O4/c1-16-6-5-7-17(12-16)27(32)29-26-19-9-8-18(13-22(19)31(2)30-26)35-23-10-11-28-21-15-25(34-4)24(33-3)14-20(21)23/h5-15H,1-4H3,(H,29,30,32).
What are the key properties of N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]-3-methylbenzamide?
N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]-3-methylbenzamide has a molecular weight of 468.51 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]-3-methylbenzamide is sourced from PubChem (CID 11363357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).