2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide

C21H26N6O2 — CID 30649212

About 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide

2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide (PubChem CID 30649212) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
• PubChem CID: 30649212
• Molecular Formula: C21H26N6O2
• Molecular Weight: 394.48 g/mol
• Exact Mass: 394.21
• IUPAC Name: 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
• SMILES: C[C@@H](NC(=O)CN1CCN(Cc2nc(N)c3ccccc3n2)CC1)c1ccco1
• InChI: InChI=1S/C21H26N6O2/c1-15(18-7-4-12-29-18)23-20(28)14-27-10-8-26(9-11-27)13-19-24-17-6-3-2-5-16(17)21(22)25-19/h2-7,12,15H,8-11,13-14H2,1H3,(H,23,28)(H2,22,24,25)/t15-/m1/s1
• InChIKey: XCBKAFPUKDWJNJ-OAHLLOKOSA-N
• XLogP: 1.80
• TPSA: 100.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.48
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide?

The IUPAC name of 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide (CID 30649212) is 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide.

What is the SMILES notation for 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide?

The canonical SMILES for 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide is C[C@@H](NC(=O)CN1CCN(Cc2nc(N)c3ccccc3n2)CC1)c1ccco1.

What is the InChIKey of 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide?

The InChIKey is XCBKAFPUKDWJNJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-15(18-7-4-12-29-18)23-20(28)14-27-10-8-26(9-11-27)13-19-24-17-6-3-2-5-16(17)21(22)25-19/h2-7,12,15H,8-11,13-14H2,1H3,(H,23,28)(H2,22,24,25)/t15-/m1/s1.

What are the key properties of 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide?

2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide has a molecular weight of 394.48 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide is sourced from PubChem (CID 30649212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).