N-(4-chlorophenyl)-6-(7-methoxyquinolin-4-yl)oxynaphthalene-1-carboxamide

C27H19ClN2O3 — CID 24824184

IUPACN-(4-chlorophenyl)-6-(7-methoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
SMILESCOc1ccc2c(Oc3ccc4c(C(=O)Nc5ccc(Cl)cc5)cccc4c3)ccnc2c1
InChIInChI=1S/C27H19ClN2O3/c1-32-20-9-12-24-25(16-20)29-14-13-26(24)33-21-10-11-22-17(15-21)3-2-4-23(22)27(31)30-19-7-5-18(28)6-8-19/h2-16H,1H3,(H,30,31)
InChIKeyBZKLUSSXEGESCM-UHFFFAOYSA-N
MW454.91 g/mol
LogP7.09
Rot. Bonds5

About N-(4-chlorophenyl)-6-(7-methoxyquinolin-4-yl)oxynaphthalene-1-carboxamide

N-(4-chlorophenyl)-6-(7-methoxyquinolin-4-yl)oxynaphthalene-1-carboxamide (PubChem CID 24824184) has the molecular formula C27H19ClN2O3 and a molecular weight of 454.91 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-(7-methoxyquinolin-4-yl)oxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-(7-methoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
PubChem CID24824184
Molecular FormulaC27H19ClN2O3
Molecular Weight454.91 g/mol
Exact Mass454.11
IUPAC NameN-(4-chlorophenyl)-6-(7-methoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
SMILESCOc1ccc2c(Oc3ccc4c(C(=O)Nc5ccc(Cl)cc5)cccc4c3)ccnc2c1
InChIInChI=1S/C27H19ClN2O3/c1-32-20-9-12-24-25(16-20)29-14-13-26(24)33-21-10-11-22-17(15-21)3-2-4-23(22)27(31)30-19-7-5-18(28)6-8-19/h2-16H,1H3,(H,30,31)
InChIKeyBZKLUSSXEGESCM-UHFFFAOYSA-N
XLogP7.09
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.91
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-chlorophenyl)-6-(7-methoxyquinolin-4-yl)oxynaphthalene-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 N-(4-chlorophenyl)-6-(7-methoxyquinolin-4-yl)oxynaphthalene-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-6-(7-methoxyquinolin-4-yl)oxynaphthalene-1-carboxamide (CID 24824184) is N-(4-chlorophenyl)-6-(7-methoxyquinolin-4-yl)oxynaphthalene-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-6-(7-methoxyquinolin-4-yl)oxynaphthalene-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-6-(7-methoxyquinolin-4-yl)oxynaphthalene-1-carboxamide is COc1ccc2c(Oc3ccc4c(C(=O)Nc5ccc(Cl)cc5)cccc4c3)ccnc2c1.
What is the InChIKey of N-(4-chlorophenyl)-6-(7-methoxyquinolin-4-yl)oxynaphthalene-1-carboxamide?
The InChIKey is BZKLUSSXEGESCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19ClN2O3/c1-32-20-9-12-24-25(16-20)29-14-13-26(24)33-21-10-11-22-17(15-21)3-2-4-23(22)27(31)30-19-7-5-18(28)6-8-19/h2-16H,1H3,(H,30,31).
What are the key properties of N-(4-chlorophenyl)-6-(7-methoxyquinolin-4-yl)oxynaphthalene-1-carboxamide?
N-(4-chlorophenyl)-6-(7-methoxyquinolin-4-yl)oxynaphthalene-1-carboxamide has a molecular weight of 454.91 g/mol, XLogP of 7.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-(7-methoxyquinolin-4-yl)oxynaphthalene-1-carboxamide is sourced from PubChem (CID 24824184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).