2-(3,4-dimethoxyphenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)quinoline-4-carboxamide

C24H20N4O3S — CID 52558753

IUPAC2-(3,4-dimethoxyphenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3cn4ccsc4n3)c3ccccc3n2)cc1OC
InChIInChI=1S/C24H20N4O3S/c1-30-21-8-7-15(11-22(21)31-2)20-12-18(17-5-3-4-6-19(17)27-20)23(29)25-13-16-14-28-9-10-32-24(28)26-16/h3-12,14H,13H2,1-2H3,(H,25,29)
InChIKeyPICQUHQHTIMKGM-UHFFFAOYSA-N
MW444.52 g/mol
LogP4.56
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)quinoline-4-carboxamide

2-(3,4-dimethoxyphenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)quinoline-4-carboxamide (PubChem CID 52558753) has the molecular formula C24H20N4O3S and a molecular weight of 444.52 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)quinoline-4-carboxamide
PubChem CID52558753
Molecular FormulaC24H20N4O3S
Molecular Weight444.52 g/mol
Exact Mass444.13
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3cn4ccsc4n3)c3ccccc3n2)cc1OC
InChIInChI=1S/C24H20N4O3S/c1-30-21-8-7-15(11-22(21)31-2)20-12-18(17-5-3-4-6-19(17)27-20)23(29)25-13-16-14-28-9-10-32-24(28)26-16/h3-12,14H,13H2,1-2H3,(H,25,29)
InChIKeyPICQUHQHTIMKGM-UHFFFAOYSA-N
XLogP4.56
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)quinoline-4-carboxamide (CID 52558753) is 2-(3,4-dimethoxyphenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)NCc3cn4ccsc4n3)c3ccccc3n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)quinoline-4-carboxamide?
The InChIKey is PICQUHQHTIMKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3S/c1-30-21-8-7-15(11-22(21)31-2)20-12-18(17-5-3-4-6-19(17)27-20)23(29)25-13-16-14-28-9-10-32-24(28)26-16/h3-12,14H,13H2,1-2H3,(H,25,29).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)quinoline-4-carboxamide?
2-(3,4-dimethoxyphenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)quinoline-4-carboxamide has a molecular weight of 444.52 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 52558753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).