N-[2-(2-methoxyethyl)-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-4-propan-2-ylbenzamide

C21H27N3O3 — CID 163446789

About N-[2-(2-methoxyethyl)-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-4-propan-2-ylbenzamide

N-[2-(2-methoxyethyl)-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-4-propan-2-ylbenzamide (PubChem CID 163446789) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[2-(2-methoxyethyl)-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-4-propan-2-ylbenzamide.

Molecular Properties

• Compound Name: N-[2-(2-methoxyethyl)-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-4-propan-2-ylbenzamide
• PubChem CID: 163446789
• Molecular Formula: C21H27N3O3
• Molecular Weight: 369.47 g/mol
• Exact Mass: 369.21
• IUPAC Name: N-[2-(2-methoxyethyl)-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-4-propan-2-ylbenzamide
• SMILES: COCCn1nc2c(cc1=O)CC(NC(=O)c1ccc(C(C)C)cc1)CC2
• InChI: InChI=1S/C21H27N3O3/c1-14(2)15-4-6-16(7-5-15)21(26)22-18-8-9-19-17(12-18)13-20(25)24(23-19)10-11-27-3/h4-7,13-14,18H,8-12H2,1-3H3,(H,22,26)
• InChIKey: BDENGQFGGIABLM-UHFFFAOYSA-N
• XLogP: 2.30
• TPSA: 73.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.47
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethyl)-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-4-propan-2-ylbenzamide?

The IUPAC name of N-[2-(2-methoxyethyl)-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-4-propan-2-ylbenzamide (CID 163446789) is N-[2-(2-methoxyethyl)-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-4-propan-2-ylbenzamide.

What is the SMILES notation for N-[2-(2-methoxyethyl)-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-4-propan-2-ylbenzamide?

The canonical SMILES for N-[2-(2-methoxyethyl)-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-4-propan-2-ylbenzamide is COCCn1nc2c(cc1=O)CC(NC(=O)c1ccc(C(C)C)cc1)CC2.

What is the InChIKey of N-[2-(2-methoxyethyl)-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-4-propan-2-ylbenzamide?

The InChIKey is BDENGQFGGIABLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-14(2)15-4-6-16(7-5-15)21(26)22-18-8-9-19-17(12-18)13-20(25)24(23-19)10-11-27-3/h4-7,13-14,18H,8-12H2,1-3H3,(H,22,26).

What are the key properties of N-[2-(2-methoxyethyl)-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-4-propan-2-ylbenzamide?

N-[2-(2-methoxyethyl)-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-4-propan-2-ylbenzamide has a molecular weight of 369.47 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-methoxyethyl)-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 163446789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).