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

C27H24N4O5 — CID 11363728

IUPACN-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nn(C)c3cc(Oc4ccnc5cc(OC)c(OC)cc45)ccc23)cc1
InChIInChI=1S/C27H24N4O5/c1-31-22-13-18(36-23-11-12-28-21-15-25(35-4)24(34-3)14-20(21)23)9-10-19(22)26(30-31)29-27(32)16-5-7-17(33-2)8-6-16/h5-15H,1-4H3,(H,29,30,32)
InChIKeyMHZUUZIKUOLVOY-UHFFFAOYSA-N
MW484.51 g/mol
LogP5.19
Rot. Bonds7

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

N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]-4-methoxybenzamide (PubChem CID 11363728) has the molecular formula C27H24N4O5 and a molecular weight of 484.51 g/mol. Its IUPAC name is N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]-4-methoxybenzamide
PubChem CID11363728
Molecular FormulaC27H24N4O5
Molecular Weight484.51 g/mol
Exact Mass484.17
IUPAC NameN-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nn(C)c3cc(Oc4ccnc5cc(OC)c(OC)cc45)ccc23)cc1
InChIInChI=1S/C27H24N4O5/c1-31-22-13-18(36-23-11-12-28-21-15-25(35-4)24(34-3)14-20(21)23)9-10-19(22)26(30-31)29-27(32)16-5-7-17(33-2)8-6-16/h5-15H,1-4H3,(H,29,30,32)
InChIKeyMHZUUZIKUOLVOY-UHFFFAOYSA-N
XLogP5.19
TPSA96.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.51
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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]-4-methoxybenzamide?
The IUPAC name of N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]-4-methoxybenzamide (CID 11363728) is N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]-4-methoxybenzamide?
The canonical SMILES for N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2nn(C)c3cc(Oc4ccnc5cc(OC)c(OC)cc45)ccc23)cc1.
What is the InChIKey of N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]-4-methoxybenzamide?
The InChIKey is MHZUUZIKUOLVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O5/c1-31-22-13-18(36-23-11-12-28-21-15-25(35-4)24(34-3)14-20(21)23)9-10-19(22)26(30-31)29-27(32)16-5-7-17(33-2)8-6-16/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]-4-methoxybenzamide?
N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]-4-methoxybenzamide has a molecular weight of 484.51 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]-4-methoxybenzamide is sourced from PubChem (CID 11363728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).