6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(1,3-thiazol-2-yl)naphthalene-1-carboxamide

C25H19N3O4S — CID 24824317

IUPAC6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(1,3-thiazol-2-yl)naphthalene-1-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)Nc5nccs5)cccc4c3)c2cc1OC
InChIInChI=1S/C25H19N3O4S/c1-30-22-13-19-20(14-23(22)31-2)26-9-8-21(19)32-16-6-7-17-15(12-16)4-3-5-18(17)24(29)28-25-27-10-11-33-25/h3-14H,1-2H3,(H,27,28,29)
InChIKeyDSVAITHOERESIB-UHFFFAOYSA-N
MW457.51 g/mol
LogP5.91
Rot. Bonds6

About 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(1,3-thiazol-2-yl)naphthalene-1-carboxamide

6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(1,3-thiazol-2-yl)naphthalene-1-carboxamide (PubChem CID 24824317) has the molecular formula C25H19N3O4S and a molecular weight of 457.51 g/mol. Its IUPAC name is 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(1,3-thiazol-2-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(1,3-thiazol-2-yl)naphthalene-1-carboxamide
PubChem CID24824317
Molecular FormulaC25H19N3O4S
Molecular Weight457.51 g/mol
Exact Mass457.11
IUPAC Name6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(1,3-thiazol-2-yl)naphthalene-1-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)Nc5nccs5)cccc4c3)c2cc1OC
InChIInChI=1S/C25H19N3O4S/c1-30-22-13-19-20(14-23(22)31-2)26-9-8-21(19)32-16-6-7-17-15(12-16)4-3-5-18(17)24(29)28-25-27-10-11-33-25/h3-14H,1-2H3,(H,27,28,29)
InChIKeyDSVAITHOERESIB-UHFFFAOYSA-N
XLogP5.91
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.51
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(1,3-thiazol-2-yl)naphthalene-1-carboxamide?
The IUPAC name of 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(1,3-thiazol-2-yl)naphthalene-1-carboxamide (CID 24824317) is 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(1,3-thiazol-2-yl)naphthalene-1-carboxamide.
What is the SMILES notation for 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(1,3-thiazol-2-yl)naphthalene-1-carboxamide?
The canonical SMILES for 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(1,3-thiazol-2-yl)naphthalene-1-carboxamide is COc1cc2nccc(Oc3ccc4c(C(=O)Nc5nccs5)cccc4c3)c2cc1OC.
What is the InChIKey of 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(1,3-thiazol-2-yl)naphthalene-1-carboxamide?
The InChIKey is DSVAITHOERESIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O4S/c1-30-22-13-19-20(14-23(22)31-2)26-9-8-21(19)32-16-6-7-17-15(12-16)4-3-5-18(17)24(29)28-25-27-10-11-33-25/h3-14H,1-2H3,(H,27,28,29).
What are the key properties of 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(1,3-thiazol-2-yl)naphthalene-1-carboxamide?
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(1,3-thiazol-2-yl)naphthalene-1-carboxamide has a molecular weight of 457.51 g/mol, XLogP of 5.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(1,3-thiazol-2-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 24824317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).