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

C27H20ClN3O4 — CID 24824186

IUPACN-(4-chlorophenyl)-6-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide
SMILESCOc1cc2ncnc(Oc3ccc4c(C(=O)Nc5ccc(Cl)cc5)cccc4c3)c2cc1OC
InChIInChI=1S/C27H20ClN3O4/c1-33-24-13-22-23(14-25(24)34-2)29-15-30-27(22)35-19-10-11-20-16(12-19)4-3-5-21(20)26(32)31-18-8-6-17(28)7-9-18/h3-15H,1-2H3,(H,31,32)
InChIKeyCGYFTXHGLOCTTK-UHFFFAOYSA-N
MW485.93 g/mol
LogP6.50
Rot. Bonds6

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

N-(4-chlorophenyl)-6-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide (PubChem CID 24824186) has the molecular formula C27H20ClN3O4 and a molecular weight of 485.93 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide
PubChem CID24824186
Molecular FormulaC27H20ClN3O4
Molecular Weight485.93 g/mol
Exact Mass485.11
IUPAC NameN-(4-chlorophenyl)-6-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide
SMILESCOc1cc2ncnc(Oc3ccc4c(C(=O)Nc5ccc(Cl)cc5)cccc4c3)c2cc1OC
InChIInChI=1S/C27H20ClN3O4/c1-33-24-13-22-23(14-25(24)34-2)29-15-30-27(22)35-19-10-11-20-16(12-19)4-3-5-21(20)26(32)31-18-8-6-17(28)7-9-18/h3-15H,1-2H3,(H,31,32)
InChIKeyCGYFTXHGLOCTTK-UHFFFAOYSA-N
XLogP6.50
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.93
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-chlorophenyl)-6-(6,7-dimethoxyquinazolin-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-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-6-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide (CID 24824186) is N-(4-chlorophenyl)-6-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-6-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-6-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide is COc1cc2ncnc(Oc3ccc4c(C(=O)Nc5ccc(Cl)cc5)cccc4c3)c2cc1OC.
What is the InChIKey of N-(4-chlorophenyl)-6-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide?
The InChIKey is CGYFTXHGLOCTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClN3O4/c1-33-24-13-22-23(14-25(24)34-2)29-15-30-27(22)35-19-10-11-20-16(12-19)4-3-5-21(20)26(32)31-18-8-6-17(28)7-9-18/h3-15H,1-2H3,(H,31,32).
What are the key properties of N-(4-chlorophenyl)-6-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide?
N-(4-chlorophenyl)-6-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide has a molecular weight of 485.93 g/mol, XLogP of 6.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide is sourced from PubChem (CID 24824186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).