6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(4-methylphenyl)naphthalene-1-carboxamide

C29H24N2O4 — CID 24822426

IUPAC6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(4-methylphenyl)naphthalene-1-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)Nc5ccc(C)cc5)cccc4c3)c2cc1OC
InChIInChI=1S/C29H24N2O4/c1-18-7-9-20(10-8-18)31-29(32)23-6-4-5-19-15-21(11-12-22(19)23)35-26-13-14-30-25-17-28(34-3)27(33-2)16-24(25)26/h4-17H,1-3H3,(H,31,32)
InChIKeyPSHDSOBXUGVZEM-UHFFFAOYSA-N
MW464.52 g/mol
LogP6.76
Rot. Bonds6

About 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(4-methylphenyl)naphthalene-1-carboxamide

6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(4-methylphenyl)naphthalene-1-carboxamide (PubChem CID 24822426) has the molecular formula C29H24N2O4 and a molecular weight of 464.52 g/mol. Its IUPAC name is 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(4-methylphenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(4-methylphenyl)naphthalene-1-carboxamide
PubChem CID24822426
Molecular FormulaC29H24N2O4
Molecular Weight464.52 g/mol
Exact Mass464.17
IUPAC Name6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(4-methylphenyl)naphthalene-1-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)Nc5ccc(C)cc5)cccc4c3)c2cc1OC
InChIInChI=1S/C29H24N2O4/c1-18-7-9-20(10-8-18)31-29(32)23-6-4-5-19-15-21(11-12-22(19)23)35-26-13-14-30-25-17-28(34-3)27(33-2)16-24(25)26/h4-17H,1-3H3,(H,31,32)
InChIKeyPSHDSOBXUGVZEM-UHFFFAOYSA-N
XLogP6.76
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.52
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(4-methylphenyl)naphthalene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(4-methylphenyl)naphthalene-1-carboxamide?
The IUPAC name of 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(4-methylphenyl)naphthalene-1-carboxamide (CID 24822426) is 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(4-methylphenyl)naphthalene-1-carboxamide.
What is the SMILES notation for 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(4-methylphenyl)naphthalene-1-carboxamide?
The canonical SMILES for 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(4-methylphenyl)naphthalene-1-carboxamide is COc1cc2nccc(Oc3ccc4c(C(=O)Nc5ccc(C)cc5)cccc4c3)c2cc1OC.
What is the InChIKey of 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(4-methylphenyl)naphthalene-1-carboxamide?
The InChIKey is PSHDSOBXUGVZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O4/c1-18-7-9-20(10-8-18)31-29(32)23-6-4-5-19-15-21(11-12-22(19)23)35-26-13-14-30-25-17-28(34-3)27(33-2)16-24(25)26/h4-17H,1-3H3,(H,31,32).
What are the key properties of 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(4-methylphenyl)naphthalene-1-carboxamide?
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(4-methylphenyl)naphthalene-1-carboxamide has a molecular weight of 464.52 g/mol, XLogP of 6.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(4-methylphenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 24822426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).