6-(6,7-dimethoxyquinolin-4-yl)oxy-N-pyridin-3-ylnaphthalene-1-carboxamide

C27H21N3O4 — CID 24824316

IUPAC6-(6,7-dimethoxyquinolin-4-yl)oxy-N-pyridin-3-ylnaphthalene-1-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)Nc5cccnc5)cccc4c3)c2cc1OC
InChIInChI=1S/C27H21N3O4/c1-32-25-14-22-23(15-26(25)33-2)29-12-10-24(22)34-19-8-9-20-17(13-19)5-3-7-21(20)27(31)30-18-6-4-11-28-16-18/h3-16H,1-2H3,(H,30,31)
InChIKeyBVGNPHZIUYGPRQ-UHFFFAOYSA-N
MW451.48 g/mol
LogP5.84
Rot. Bonds6

About 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-pyridin-3-ylnaphthalene-1-carboxamide

6-(6,7-dimethoxyquinolin-4-yl)oxy-N-pyridin-3-ylnaphthalene-1-carboxamide (PubChem CID 24824316) has the molecular formula C27H21N3O4 and a molecular weight of 451.48 g/mol. Its IUPAC name is 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-pyridin-3-ylnaphthalene-1-carboxamide.

Molecular Properties

Compound Name6-(6,7-dimethoxyquinolin-4-yl)oxy-N-pyridin-3-ylnaphthalene-1-carboxamide
PubChem CID24824316
Molecular FormulaC27H21N3O4
Molecular Weight451.48 g/mol
Exact Mass451.15
IUPAC Name6-(6,7-dimethoxyquinolin-4-yl)oxy-N-pyridin-3-ylnaphthalene-1-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)Nc5cccnc5)cccc4c3)c2cc1OC
InChIInChI=1S/C27H21N3O4/c1-32-25-14-22-23(15-26(25)33-2)29-12-10-24(22)34-19-8-9-20-17(13-19)5-3-7-21(20)27(31)30-18-6-4-11-28-16-18/h3-16H,1-2H3,(H,30,31)
InChIKeyBVGNPHZIUYGPRQ-UHFFFAOYSA-N
XLogP5.84
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.48
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-pyridin-3-ylnaphthalene-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-pyridin-3-ylnaphthalene-1-carboxamide?
The IUPAC name of 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-pyridin-3-ylnaphthalene-1-carboxamide (CID 24824316) is 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-pyridin-3-ylnaphthalene-1-carboxamide.
What is the SMILES notation for 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-pyridin-3-ylnaphthalene-1-carboxamide?
The canonical SMILES for 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-pyridin-3-ylnaphthalene-1-carboxamide is COc1cc2nccc(Oc3ccc4c(C(=O)Nc5cccnc5)cccc4c3)c2cc1OC.
What is the InChIKey of 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-pyridin-3-ylnaphthalene-1-carboxamide?
The InChIKey is BVGNPHZIUYGPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O4/c1-32-25-14-22-23(15-26(25)33-2)29-12-10-24(22)34-19-8-9-20-17(13-19)5-3-7-21(20)27(31)30-18-6-4-11-28-16-18/h3-16H,1-2H3,(H,30,31).
What are the key properties of 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-pyridin-3-ylnaphthalene-1-carboxamide?
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-pyridin-3-ylnaphthalene-1-carboxamide has a molecular weight of 451.48 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-pyridin-3-ylnaphthalene-1-carboxamide is sourced from PubChem (CID 24824316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).