N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide

C26H15N3O3S2 — CID 4155163

IUPACN-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(Nc1nc(-c2cc3ccccc3oc2=O)cs1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C26H15N3O3S2/c30-24(17-13-20(23-10-5-11-33-23)27-19-8-3-2-7-16(17)19)29-26-28-21(14-34-26)18-12-15-6-1-4-9-22(15)32-25(18)31/h1-14H,(H,28,29,30)
InChIKeyWWRKBMIIYXFPIA-UHFFFAOYSA-N
MW481.56 g/mol
LogP6.45
Rot. Bonds4

About N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide

N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 4155163) has the molecular formula C26H15N3O3S2 and a molecular weight of 481.56 g/mol. Its IUPAC name is N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID4155163
Molecular FormulaC26H15N3O3S2
Molecular Weight481.56 g/mol
Exact Mass481.06
IUPAC NameN-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(Nc1nc(-c2cc3ccccc3oc2=O)cs1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C26H15N3O3S2/c30-24(17-13-20(23-10-5-11-33-23)27-19-8-3-2-7-16(17)19)29-26-28-21(14-34-26)18-12-15-6-1-4-9-22(15)32-25(18)31/h1-14H,(H,28,29,30)
InChIKeyWWRKBMIIYXFPIA-UHFFFAOYSA-N
XLogP6.45
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.56
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2313908
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 71592345
2-(5-methylfuran-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 5086616
2-propan-2-yl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 16562926
N-[4-[[(2-thiophen-2-ylquinoline-4-carbonyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide
CID 43070381
(E)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
CID 6173167
2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 2385229
N-naphthalen-2-yl-2-thiophen-2-ylquinoline-4-carboxamide
CID 2316962
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2090181
N-(4,6-dimethyl-2-pyridinyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 4588937
3-nitro-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]benzamide
CID 2303553
2-(5-chlorothiophen-2-yl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 3445405

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide (CID 4155163) is N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide is O=C(Nc1nc(-c2cc3ccccc3oc2=O)cs1)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is WWRKBMIIYXFPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15N3O3S2/c30-24(17-13-20(23-10-5-11-33-23)27-19-8-3-2-7-16(17)19)29-26-28-21(14-34-26)18-12-15-6-1-4-9-22(15)32-25(18)31/h1-14H,(H,28,29,30).
What are the key properties of N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 481.56 g/mol, XLogP of 6.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 4155163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).