N-[5-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide

C29H23N5O2S — CID 17203345

About N-[5-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide

N-[5-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide (PubChem CID 17203345) has the molecular formula C29H23N5O2S and a molecular weight of 505.60 g/mol. Its IUPAC name is N-[5-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide
• PubChem CID: 17203345
• Molecular Formula: C29H23N5O2S
• Molecular Weight: 505.60 g/mol
• Exact Mass: 505.16
• IUPAC Name: N-[5-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide
• SMILES: Cc1cccc(N2CC(c3nnc(NC(=O)c4cc(-c5ccccc5)nc5ccccc45)s3)CC2=O)c1
• InChI: InChI=1S/C29H23N5O2S/c1-18-8-7-11-21(14-18)34-17-20(15-26(34)35)28-32-33-29(37-28)31-27(36)23-16-25(19-9-3-2-4-10-19)30-24-13-6-5-12-22(23)24/h2-14,16,20H,15,17H2,1H3,(H,31,33,36)
• InChIKey: VQOIPBRDASYFQJ-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 88.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.60
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide?

The IUPAC name of N-[5-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide (CID 17203345) is N-[5-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide.

What is the SMILES notation for N-[5-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide?

The canonical SMILES for N-[5-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide is Cc1cccc(N2CC(c3nnc(NC(=O)c4cc(-c5ccccc5)nc5ccccc45)s3)CC2=O)c1.

What is the InChIKey of N-[5-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide?

The InChIKey is VQOIPBRDASYFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N5O2S/c1-18-8-7-11-21(14-18)34-17-20(15-26(34)35)28-32-33-29(37-28)31-27(36)23-16-25(19-9-3-2-4-10-19)30-24-13-6-5-12-22(23)24/h2-14,16,20H,15,17H2,1H3,(H,31,33,36).

What are the key properties of N-[5-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide?

N-[5-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide has a molecular weight of 505.60 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 17203345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).