3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide

C27H26N4O3 — CID 135907220

About 3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide

3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide (PubChem CID 135907220) has the molecular formula C27H26N4O3 and a molecular weight of 454.53 g/mol. Its IUPAC name is 3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide.

Molecular Properties

• Compound Name: 3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
• PubChem CID: 135907220
• Molecular Formula: C27H26N4O3
• Molecular Weight: 454.53 g/mol
• Exact Mass: 454.20
• IUPAC Name: 3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
• SMILES: O=C(CCC1(Cc2ccc3ccccc3c2)CCC(=O)N1)NCc1nc2ccccc2c(=O)[nH]1
• InChI: InChI=1S/C27H26N4O3/c32-24(28-17-23-29-22-8-4-3-7-21(22)26(34)30-23)11-13-27(14-12-25(33)31-27)16-18-9-10-19-5-1-2-6-20(19)15-18/h1-10,15H,11-14,16-17H2,(H,28,32)(H,31,33)(H,29,30,34)
• InChIKey: VWVWVSFFGDSROX-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 103.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.53
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?

The IUPAC name of 3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide (CID 135907220) is 3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide.

What is the SMILES notation for 3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?

The canonical SMILES for 3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide is O=C(CCC1(Cc2ccc3ccccc3c2)CCC(=O)N1)NCc1nc2ccccc2c(=O)[nH]1.

What is the InChIKey of 3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?

The InChIKey is VWVWVSFFGDSROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3/c32-24(28-17-23-29-22-8-4-3-7-21(22)26(34)30-23)11-13-27(14-12-25(33)31-27)16-18-9-10-19-5-1-2-6-20(19)15-18/h1-10,15H,11-14,16-17H2,(H,28,32)(H,31,33)(H,29,30,34).

What are the key properties of 3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?

3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide has a molecular weight of 454.53 g/mol, XLogP of 3.36, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide is sourced from PubChem (CID 135907220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).