4-chloro-N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-8-methylthieno[3,2-c]quinoline-2-carboxamide

C22H13ClFN3O2S — CID 46257044

IUPAC4-chloro-N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-8-methylthieno[3,2-c]quinoline-2-carboxamide
SMILESCc1ccc2nc(Cl)c3cc(C(=O)Nc4cc(-c5cccc(F)c5)no4)sc3c2c1
InChIInChI=1S/C22H13ClFN3O2S/c1-11-5-6-16-14(7-11)20-15(21(23)25-16)9-18(30-20)22(28)26-19-10-17(27-29-19)12-3-2-4-13(24)8-12/h2-10H,1H3,(H,26,28)
InChIKeyGNOLWZPVANPSFC-UHFFFAOYSA-N
MW437.88 g/mol
LogP6.46
Rot. Bonds3

About 4-chloro-N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-8-methylthieno[3,2-c]quinoline-2-carboxamide

4-chloro-N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-8-methylthieno[3,2-c]quinoline-2-carboxamide (PubChem CID 46257044) has the molecular formula C22H13ClFN3O2S and a molecular weight of 437.88 g/mol. Its IUPAC name is 4-chloro-N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-8-methylthieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-8-methylthieno[3,2-c]quinoline-2-carboxamide
PubChem CID46257044
Molecular FormulaC22H13ClFN3O2S
Molecular Weight437.88 g/mol
Exact Mass437.04
IUPAC Name4-chloro-N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-8-methylthieno[3,2-c]quinoline-2-carboxamide
SMILESCc1ccc2nc(Cl)c3cc(C(=O)Nc4cc(-c5cccc(F)c5)no4)sc3c2c1
InChIInChI=1S/C22H13ClFN3O2S/c1-11-5-6-16-14(7-11)20-15(21(23)25-16)9-18(30-20)22(28)26-19-10-17(27-29-19)12-3-2-4-13(24)8-12/h2-10H,1H3,(H,26,28)
InChIKeyGNOLWZPVANPSFC-UHFFFAOYSA-N
XLogP6.46
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.88
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-chloro-N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-8-methylthieno[3,2-c]quinoline-2-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 4-chloro-N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-8-methylthieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 4-chloro-N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-8-methylthieno[3,2-c]quinoline-2-carboxamide (CID 46257044) is 4-chloro-N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-8-methylthieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-8-methylthieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 4-chloro-N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-8-methylthieno[3,2-c]quinoline-2-carboxamide is Cc1ccc2nc(Cl)c3cc(C(=O)Nc4cc(-c5cccc(F)c5)no4)sc3c2c1.
What is the InChIKey of 4-chloro-N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-8-methylthieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is GNOLWZPVANPSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClFN3O2S/c1-11-5-6-16-14(7-11)20-15(21(23)25-16)9-18(30-20)22(28)26-19-10-17(27-29-19)12-3-2-4-13(24)8-12/h2-10H,1H3,(H,26,28).
What are the key properties of 4-chloro-N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-8-methylthieno[3,2-c]quinoline-2-carboxamide?
4-chloro-N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-8-methylthieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 437.88 g/mol, XLogP of 6.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-8-methylthieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 46257044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).