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

C29H21ClN2O4 — CID 52940860

IUPAC6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(4-chlorophenyl)naphthalene-1-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)Nc5ccc(Cl)cc5)cccc4c3)c2cc1C(C)=O
InChIInChI=1S/C29H21ClN2O4/c1-17(33)24-15-25-26(16-28(24)35-2)31-13-12-27(25)36-21-10-11-22-18(14-21)4-3-5-23(22)29(34)32-20-8-6-19(30)7-9-20/h3-16H,1-2H3,(H,32,34)
InChIKeyZUAYHJQFTTZMLY-UHFFFAOYSA-N
MW496.95 g/mol
LogP7.30
Rot. Bonds6

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

6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(4-chlorophenyl)naphthalene-1-carboxamide (PubChem CID 52940860) has the molecular formula C29H21ClN2O4 and a molecular weight of 496.95 g/mol. Its IUPAC name is 6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(4-chlorophenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(4-chlorophenyl)naphthalene-1-carboxamide
PubChem CID52940860
Molecular FormulaC29H21ClN2O4
Molecular Weight496.95 g/mol
Exact Mass496.12
IUPAC Name6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(4-chlorophenyl)naphthalene-1-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)Nc5ccc(Cl)cc5)cccc4c3)c2cc1C(C)=O
InChIInChI=1S/C29H21ClN2O4/c1-17(33)24-15-25-26(16-28(24)35-2)31-13-12-27(25)36-21-10-11-22-18(14-21)4-3-5-23(22)29(34)32-20-8-6-19(30)7-9-20/h3-16H,1-2H3,(H,32,34)
InChIKeyZUAYHJQFTTZMLY-UHFFFAOYSA-N
XLogP7.30
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.95
LogP ≤ 57.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(4-chlorophenyl)naphthalene-1-carboxamide?
The IUPAC name of 6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(4-chlorophenyl)naphthalene-1-carboxamide (CID 52940860) is 6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(4-chlorophenyl)naphthalene-1-carboxamide.
What is the SMILES notation for 6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(4-chlorophenyl)naphthalene-1-carboxamide?
The canonical SMILES for 6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(4-chlorophenyl)naphthalene-1-carboxamide is COc1cc2nccc(Oc3ccc4c(C(=O)Nc5ccc(Cl)cc5)cccc4c3)c2cc1C(C)=O.
What is the InChIKey of 6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(4-chlorophenyl)naphthalene-1-carboxamide?
The InChIKey is ZUAYHJQFTTZMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21ClN2O4/c1-17(33)24-15-25-26(16-28(24)35-2)31-13-12-27(25)36-21-10-11-22-18(14-21)4-3-5-23(22)29(34)32-20-8-6-19(30)7-9-20/h3-16H,1-2H3,(H,32,34).
What are the key properties of 6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(4-chlorophenyl)naphthalene-1-carboxamide?
6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(4-chlorophenyl)naphthalene-1-carboxamide has a molecular weight of 496.95 g/mol, XLogP of 7.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(4-chlorophenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 52940860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).