1-[2-(dimethylamino)ethyl]-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide

C19H29N5O2 — CID 50956956

About 1-[2-(dimethylamino)ethyl]-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide

1-[2-(dimethylamino)ethyl]-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 50956956) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(dimethylamino)ethyl]-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 50956956
• Molecular Formula: C19H29N5O2
• Molecular Weight: 359.47 g/mol
• Exact Mass: 359.23
• IUPAC Name: 1-[2-(dimethylamino)ethyl]-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
• SMILES: Cc1nc(CNC(=O)C2CC(=O)N(CCN(C)C)C2)nc2c1CCCC2
• InChI: InChI=1S/C19H29N5O2/c1-13-15-6-4-5-7-16(15)22-17(21-13)11-20-19(26)14-10-18(25)24(12-14)9-8-23(2)3/h14H,4-12H2,1-3H3,(H,20,26)
• InChIKey: WCTWLWPMHPXDEL-UHFFFAOYSA-N
• XLogP: 0.69
• TPSA: 78.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.47
LogP ≤ 5	0.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of 1-[2-(dimethylamino)ethyl]-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 50956956) is 1-[2-(dimethylamino)ethyl]-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for 1-[2-(dimethylamino)ethyl]-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide is Cc1nc(CNC(=O)C2CC(=O)N(CCN(C)C)C2)nc2c1CCCC2.

What is the InChIKey of 1-[2-(dimethylamino)ethyl]-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?

The InChIKey is WCTWLWPMHPXDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-13-15-6-4-5-7-16(15)22-17(21-13)11-20-19(26)14-10-18(25)24(12-14)9-8-23(2)3/h14H,4-12H2,1-3H3,(H,20,26).

What are the key properties of 1-[2-(dimethylamino)ethyl]-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?

1-[2-(dimethylamino)ethyl]-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(dimethylamino)ethyl]-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 50956956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).