2-(benzotriazol-1-yl)-N-benzyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide

C27H25N5O2 — CID 23885491

About 2-(benzotriazol-1-yl)-N-benzyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide

2-(benzotriazol-1-yl)-N-benzyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide (PubChem CID 23885491) has the molecular formula C27H25N5O2 and a molecular weight of 451.53 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-benzyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-(benzotriazol-1-yl)-N-benzyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
• PubChem CID: 23885491
• Molecular Formula: C27H25N5O2
• Molecular Weight: 451.53 g/mol
• Exact Mass: 451.20
• IUPAC Name: 2-(benzotriazol-1-yl)-N-benzyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
• SMILES: Cc1ccc2cc(CN(Cc3ccccc3)C(=O)Cn3nnc4ccccc43)c(=O)[nH]c2c1C
• InChI: InChI=1S/C27H25N5O2/c1-18-12-13-21-14-22(27(34)28-26(21)19(18)2)16-31(15-20-8-4-3-5-9-20)25(33)17-32-24-11-7-6-10-23(24)29-30-32/h3-14H,15-17H2,1-2H3,(H,28,34)
• InChIKey: WCXVFJHACPIHTL-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 83.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.53
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-benzyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide?

The IUPAC name of 2-(benzotriazol-1-yl)-N-benzyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide (CID 23885491) is 2-(benzotriazol-1-yl)-N-benzyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide.

What is the SMILES notation for 2-(benzotriazol-1-yl)-N-benzyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide?

The canonical SMILES for 2-(benzotriazol-1-yl)-N-benzyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide is Cc1ccc2cc(CN(Cc3ccccc3)C(=O)Cn3nnc4ccccc43)c(=O)[nH]c2c1C.

What is the InChIKey of 2-(benzotriazol-1-yl)-N-benzyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide?

The InChIKey is WCXVFJHACPIHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2/c1-18-12-13-21-14-22(27(34)28-26(21)19(18)2)16-31(15-20-8-4-3-5-9-20)25(33)17-32-24-11-7-6-10-23(24)29-30-32/h3-14H,15-17H2,1-2H3,(H,28,34).

What are the key properties of 2-(benzotriazol-1-yl)-N-benzyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide?

2-(benzotriazol-1-yl)-N-benzyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide has a molecular weight of 451.53 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(benzotriazol-1-yl)-N-benzyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide is sourced from PubChem (CID 23885491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).