7-chloro-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide

C24H16ClN5O3S — CID 108809712

About 7-chloro-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide

7-chloro-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (PubChem CID 108809712) has the molecular formula C24H16ClN5O3S and a molecular weight of 489.94 g/mol. Its IUPAC name is 7-chloro-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.

Molecular Properties

• Compound Name: 7-chloro-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
• PubChem CID: 108809712
• Molecular Formula: C24H16ClN5O3S
• Molecular Weight: 489.94 g/mol
• Exact Mass: 489.07
• IUPAC Name: 7-chloro-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
• SMILES: O=C(Nc1nnc(CN2C(=O)c3ccccc3C2=O)s1)c1c2c(nc3ccc(Cl)cc13)CCC2
• InChI: InChI=1S/C24H16ClN5O3S/c25-12-8-9-18-16(10-12)20(15-6-3-7-17(15)26-18)21(31)27-24-29-28-19(34-24)11-30-22(32)13-4-1-2-5-14(13)23(30)33/h1-2,4-5,8-10H,3,6-7,11H2,(H,27,29,31)
• InChIKey: LNWXCJLYVWKDPM-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 105.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.94
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?

The IUPAC name of 7-chloro-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (CID 108809712) is 7-chloro-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.

What is the SMILES notation for 7-chloro-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?

The canonical SMILES for 7-chloro-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is O=C(Nc1nnc(CN2C(=O)c3ccccc3C2=O)s1)c1c2c(nc3ccc(Cl)cc13)CCC2.

What is the InChIKey of 7-chloro-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?

The InChIKey is LNWXCJLYVWKDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN5O3S/c25-12-8-9-18-16(10-12)20(15-6-3-7-17(15)26-18)21(31)27-24-29-28-19(34-24)11-30-22(32)13-4-1-2-5-14(13)23(30)33/h1-2,4-5,8-10H,3,6-7,11H2,(H,27,29,31).

What are the key properties of 7-chloro-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?

7-chloro-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide has a molecular weight of 489.94 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is sourced from PubChem (CID 108809712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).