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

C26H22N2O4 — CID 52944070

IUPAC6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-cyclopropylnaphthalene-1-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)NC5CC5)cccc4c3)c2cc1C(C)=O
InChIInChI=1S/C26H22N2O4/c1-15(29)21-13-22-23(14-25(21)31-2)27-11-10-24(22)32-18-8-9-19-16(12-18)4-3-5-20(19)26(30)28-17-6-7-17/h3-5,8-14,17H,6-7H2,1-2H3,(H,28,30)
InChIKeyZEKKSESXTGQCDK-UHFFFAOYSA-N
MW426.47 g/mol
LogP5.28
Rot. Bonds6

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

6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-cyclopropylnaphthalene-1-carboxamide (PubChem CID 52944070) has the molecular formula C26H22N2O4 and a molecular weight of 426.47 g/mol. Its IUPAC name is 6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-cyclopropylnaphthalene-1-carboxamide.

Molecular Properties

Compound Name6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-cyclopropylnaphthalene-1-carboxamide
PubChem CID52944070
Molecular FormulaC26H22N2O4
Molecular Weight426.47 g/mol
Exact Mass426.16
IUPAC Name6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-cyclopropylnaphthalene-1-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)NC5CC5)cccc4c3)c2cc1C(C)=O
InChIInChI=1S/C26H22N2O4/c1-15(29)21-13-22-23(14-25(21)31-2)27-11-10-24(22)32-18-8-9-19-16(12-18)4-3-5-20(19)26(30)28-17-6-7-17/h3-5,8-14,17H,6-7H2,1-2H3,(H,28,30)
InChIKeyZEKKSESXTGQCDK-UHFFFAOYSA-N
XLogP5.28
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.47
LogP ≤ 55.28
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-cyclopropylnaphthalene-1-carboxamide?
The IUPAC name of 6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-cyclopropylnaphthalene-1-carboxamide (CID 52944070) is 6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-cyclopropylnaphthalene-1-carboxamide.
What is the SMILES notation for 6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-cyclopropylnaphthalene-1-carboxamide?
The canonical SMILES for 6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-cyclopropylnaphthalene-1-carboxamide is COc1cc2nccc(Oc3ccc4c(C(=O)NC5CC5)cccc4c3)c2cc1C(C)=O.
What is the InChIKey of 6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-cyclopropylnaphthalene-1-carboxamide?
The InChIKey is ZEKKSESXTGQCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O4/c1-15(29)21-13-22-23(14-25(21)31-2)27-11-10-24(22)32-18-8-9-19-16(12-18)4-3-5-20(19)26(30)28-17-6-7-17/h3-5,8-14,17H,6-7H2,1-2H3,(H,28,30).
What are the key properties of 6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-cyclopropylnaphthalene-1-carboxamide?
6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-cyclopropylnaphthalene-1-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 5.28, 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-cyclopropylnaphthalene-1-carboxamide is sourced from PubChem (CID 52944070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).