N-(1-benzylpiperidin-4-yl)-4-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]butanamide

C34H39N5O4 — CID 24792813

About N-(1-benzylpiperidin-4-yl)-4-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]butanamide

N-(1-benzylpiperidin-4-yl)-4-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]butanamide (PubChem CID 24792813) has the molecular formula C34H39N5O4 and a molecular weight of 581.72 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]butanamide.

Molecular Properties

• Compound Name: N-(1-benzylpiperidin-4-yl)-4-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]butanamide
• PubChem CID: 24792813
• Molecular Formula: C34H39N5O4
• Molecular Weight: 581.72 g/mol
• Exact Mass: 581.30
• IUPAC Name: N-(1-benzylpiperidin-4-yl)-4-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]butanamide
• SMILES: Cc1cccc(C)c1NC(=O)Cn1c(=O)n(CCCC(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)c2ccccc21
• InChI: InChI=1S/C34H39N5O4/c1-24-10-8-11-25(2)32(24)36-31(41)23-39-29-15-7-6-14-28(29)33(42)38(34(39)43)19-9-16-30(40)35-27-17-20-37(21-18-27)22-26-12-4-3-5-13-26/h3-8,10-15,27H,9,16-23H2,1-2H3,(H,35,40)(H,36,41)
• InChIKey: FOYXZCMCJLBSDA-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 105.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	581.72
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]butanamide?

The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]butanamide (CID 24792813) is N-(1-benzylpiperidin-4-yl)-4-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]butanamide.

What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]butanamide?

The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]butanamide is Cc1cccc(C)c1NC(=O)Cn1c(=O)n(CCCC(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)c2ccccc21.

What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]butanamide?

The InChIKey is FOYXZCMCJLBSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N5O4/c1-24-10-8-11-25(2)32(24)36-31(41)23-39-29-15-7-6-14-28(29)33(42)38(34(39)43)19-9-16-30(40)35-27-17-20-37(21-18-27)22-26-12-4-3-5-13-26/h3-8,10-15,27H,9,16-23H2,1-2H3,(H,35,40)(H,36,41).

What are the key properties of N-(1-benzylpiperidin-4-yl)-4-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]butanamide?

N-(1-benzylpiperidin-4-yl)-4-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]butanamide has a molecular weight of 581.72 g/mol, XLogP of 3.98, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-benzylpiperidin-4-yl)-4-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]butanamide is sourced from PubChem (CID 24792813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).