6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(2-methoxyethyl)naphthalene-1-carboxamide

C26H24N2O5 — CID 52948268

IUPAC6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(2-methoxyethyl)naphthalene-1-carboxamide
SMILESCOCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(C(C)=O)cc34)ccc12
InChIInChI=1S/C26H24N2O5/c1-16(29)21-14-22-23(15-25(21)32-3)27-10-9-24(22)33-18-7-8-19-17(13-18)5-4-6-20(19)26(30)28-11-12-31-2/h4-10,13-15H,11-12H2,1-3H3,(H,28,30)
InChIKeyRQQDWHYRWWNYSH-UHFFFAOYSA-N
MW444.49 g/mol
LogP4.77
Rot. Bonds8

About 6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(2-methoxyethyl)naphthalene-1-carboxamide

6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(2-methoxyethyl)naphthalene-1-carboxamide (PubChem CID 52948268) has the molecular formula C26H24N2O5 and a molecular weight of 444.49 g/mol. Its IUPAC name is 6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(2-methoxyethyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(2-methoxyethyl)naphthalene-1-carboxamide
PubChem CID52948268
Molecular FormulaC26H24N2O5
Molecular Weight444.49 g/mol
Exact Mass444.17
IUPAC Name6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(2-methoxyethyl)naphthalene-1-carboxamide
SMILESCOCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(C(C)=O)cc34)ccc12
InChIInChI=1S/C26H24N2O5/c1-16(29)21-14-22-23(15-25(21)32-3)27-10-9-24(22)33-18-7-8-19-17(13-18)5-4-6-20(19)26(30)28-11-12-31-2/h4-10,13-15H,11-12H2,1-3H3,(H,28,30)
InChIKeyRQQDWHYRWWNYSH-UHFFFAOYSA-N
XLogP4.77
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(2-methoxyethyl)naphthalene-1-carboxamide?
The IUPAC name of 6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(2-methoxyethyl)naphthalene-1-carboxamide (CID 52948268) is 6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(2-methoxyethyl)naphthalene-1-carboxamide.
What is the SMILES notation for 6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(2-methoxyethyl)naphthalene-1-carboxamide?
The canonical SMILES for 6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(2-methoxyethyl)naphthalene-1-carboxamide is COCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(C(C)=O)cc34)ccc12.
What is the InChIKey of 6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(2-methoxyethyl)naphthalene-1-carboxamide?
The InChIKey is RQQDWHYRWWNYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5/c1-16(29)21-14-22-23(15-25(21)32-3)27-10-9-24(22)33-18-7-8-19-17(13-18)5-4-6-20(19)26(30)28-11-12-31-2/h4-10,13-15H,11-12H2,1-3H3,(H,28,30).
What are the key properties of 6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(2-methoxyethyl)naphthalene-1-carboxamide?
6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(2-methoxyethyl)naphthalene-1-carboxamide has a molecular weight of 444.49 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(2-methoxyethyl)naphthalene-1-carboxamide is sourced from PubChem (CID 52948268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).