2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(1-ethylpyrazol-4-yl)acetamide

C25H26N4O5 — CID 70689792

IUPAC2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(1-ethylpyrazol-4-yl)acetamide
SMILESCCn1cc(NC(=O)Cc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2OC)cn1
InChIInChI=1S/C25H26N4O5/c1-5-29-15-17(14-27-29)28-25(30)10-16-6-7-18(11-22(16)31-2)34-21-8-9-26-20-13-24(33-4)23(32-3)12-19(20)21/h6-9,11-15H,5,10H2,1-4H3,(H,28,30)
InChIKeyNDZHXVIMTDMQGZ-UHFFFAOYSA-N
MW462.51 g/mol
LogP4.45
Rot. Bonds9

About 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(1-ethylpyrazol-4-yl)acetamide

2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(1-ethylpyrazol-4-yl)acetamide (PubChem CID 70689792) has the molecular formula C25H26N4O5 and a molecular weight of 462.51 g/mol. Its IUPAC name is 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(1-ethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(1-ethylpyrazol-4-yl)acetamide
PubChem CID70689792
Molecular FormulaC25H26N4O5
Molecular Weight462.51 g/mol
Exact Mass462.19
IUPAC Name2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(1-ethylpyrazol-4-yl)acetamide
SMILESCCn1cc(NC(=O)Cc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2OC)cn1
InChIInChI=1S/C25H26N4O5/c1-5-29-15-17(14-27-29)28-25(30)10-16-6-7-18(11-22(16)31-2)34-21-8-9-26-20-13-24(33-4)23(32-3)12-19(20)21/h6-9,11-15H,5,10H2,1-4H3,(H,28,30)
InChIKeyNDZHXVIMTDMQGZ-UHFFFAOYSA-N
XLogP4.45
TPSA96.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(1-ethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(1-ethylpyrazol-4-yl)acetamide (CID 70689792) is 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(1-ethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(1-ethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(1-ethylpyrazol-4-yl)acetamide is CCn1cc(NC(=O)Cc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2OC)cn1.
What is the InChIKey of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(1-ethylpyrazol-4-yl)acetamide?
The InChIKey is NDZHXVIMTDMQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O5/c1-5-29-15-17(14-27-29)28-25(30)10-16-6-7-18(11-22(16)31-2)34-21-8-9-26-20-13-24(33-4)23(32-3)12-19(20)21/h6-9,11-15H,5,10H2,1-4H3,(H,28,30).
What are the key properties of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(1-ethylpyrazol-4-yl)acetamide?
2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(1-ethylpyrazol-4-yl)acetamide has a molecular weight of 462.51 g/mol, XLogP of 4.45, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(1-ethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 70689792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).