N-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide

C20H25N5O3 — CID 72897351

About N-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide

N-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide (PubChem CID 72897351) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
• PubChem CID: 72897351
• Molecular Formula: C20H25N5O3
• Molecular Weight: 383.45 g/mol
• Exact Mass: 383.20
• IUPAC Name: N-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
• SMILES: Cc1nc(CCC(=O)N2CCc3ccc(NC(=O)C4CCCO4)cc3C2)n[nH]1
• InChI: InChI=1S/C20H25N5O3/c1-13-21-18(24-23-13)6-7-19(26)25-9-8-14-4-5-16(11-15(14)12-25)22-20(27)17-3-2-10-28-17/h4-5,11,17H,2-3,6-10,12H2,1H3,(H,22,27)(H,21,23,24)
• InChIKey: YWBWAGXTEVJQEN-UHFFFAOYSA-N
• XLogP: 1.75
• TPSA: 100.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.45
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide?

The IUPAC name of N-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide (CID 72897351) is N-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide.

What is the SMILES notation for N-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide?

The canonical SMILES for N-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide is Cc1nc(CCC(=O)N2CCc3ccc(NC(=O)C4CCCO4)cc3C2)n[nH]1.

What is the InChIKey of N-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide?

The InChIKey is YWBWAGXTEVJQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-13-21-18(24-23-13)6-7-19(26)25-9-8-14-4-5-16(11-15(14)12-25)22-20(27)17-3-2-10-28-17/h4-5,11,17H,2-3,6-10,12H2,1H3,(H,22,27)(H,21,23,24).

What are the key properties of N-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide?

N-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide is sourced from PubChem (CID 72897351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).