N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide

C22H14Cl2FN5O2 — CID 134178028

About N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide

N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 134178028) has the molecular formula C22H14Cl2FN5O2 and a molecular weight of 470.29 g/mol. Its IUPAC name is N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide
• PubChem CID: 134178028
• Molecular Formula: C22H14Cl2FN5O2
• Molecular Weight: 470.29 g/mol
• Exact Mass: 469.05
• IUPAC Name: N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide
• SMILES: O=C(NCc1cc2c(Cl)c[nH]c2cc1F)c1nnc(Cc2ccc3ncc(Cl)cc3c2)o1
• InChI: InChI=1S/C22H14Cl2FN5O2/c23-14-5-12-3-11(1-2-18(12)26-9-14)4-20-29-30-22(32-20)21(31)28-8-13-6-15-16(24)10-27-19(15)7-17(13)25/h1-3,5-7,9-10,27H,4,8H2,(H,28,31)
• InChIKey: PPYGRAMAIMBPCH-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 96.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.29
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide?

The IUPAC name of N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide (CID 134178028) is N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide.

What is the SMILES notation for N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide?

The canonical SMILES for N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide is O=C(NCc1cc2c(Cl)c[nH]c2cc1F)c1nnc(Cc2ccc3ncc(Cl)cc3c2)o1.

What is the InChIKey of N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide?

The InChIKey is PPYGRAMAIMBPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2FN5O2/c23-14-5-12-3-11(1-2-18(12)26-9-14)4-20-29-30-22(32-20)21(31)28-8-13-6-15-16(24)10-27-19(15)7-17(13)25/h1-3,5-7,9-10,27H,4,8H2,(H,28,31).

What are the key properties of N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide?

N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 470.29 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 134178028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).