2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide

C28H25N5O4S — CID 24966401

IUPAC2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(Nc4ncccc4C(=O)NC(C)c4nccs4)cc3)c2cc1OC
InChIInChI=1S/C28H25N5O4S/c1-17(28-31-13-14-38-28)32-27(34)20-5-4-11-30-26(20)33-18-6-8-19(9-7-18)37-23-10-12-29-22-16-25(36-3)24(35-2)15-21(22)23/h4-17H,1-3H3,(H,30,33)(H,32,34)
InChIKeyBSTGOSCWVKLWRQ-UHFFFAOYSA-N
MW527.61 g/mol
LogP6.13
Rot. Bonds9

About 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide

2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide (PubChem CID 24966401) has the molecular formula C28H25N5O4S and a molecular weight of 527.61 g/mol. Its IUPAC name is 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
PubChem CID24966401
Molecular FormulaC28H25N5O4S
Molecular Weight527.61 g/mol
Exact Mass527.16
IUPAC Name2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(Nc4ncccc4C(=O)NC(C)c4nccs4)cc3)c2cc1OC
InChIInChI=1S/C28H25N5O4S/c1-17(28-31-13-14-38-28)32-27(34)20-5-4-11-30-26(20)33-18-6-8-19(9-7-18)37-23-10-12-29-22-16-25(36-3)24(35-2)15-21(22)23/h4-17H,1-3H3,(H,30,33)(H,32,34)
InChIKeyBSTGOSCWVKLWRQ-UHFFFAOYSA-N
XLogP6.13
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.61
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-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 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide (CID 24966401) is 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide is COc1cc2nccc(Oc3ccc(Nc4ncccc4C(=O)NC(C)c4nccs4)cc3)c2cc1OC.
What is the InChIKey of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is BSTGOSCWVKLWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O4S/c1-17(28-31-13-14-38-28)32-27(34)20-5-4-11-30-26(20)33-18-6-8-19(9-7-18)37-23-10-12-29-22-16-25(36-3)24(35-2)15-21(22)23/h4-17H,1-3H3,(H,30,33)(H,32,34).
What are the key properties of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide?
2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 527.61 g/mol, XLogP of 6.13, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 24966401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).