1-[(4-aminoquinazolin-7-yl)methyl]-4-[3-(5-chlorothiophen-2-yl)prop-2-enyl]-6-methyl-3-propylpiperazin-2-one

C24H28ClN5OS — CID 67015075

About 1-[(4-aminoquinazolin-7-yl)methyl]-4-[3-(5-chlorothiophen-2-yl)prop-2-enyl]-6-methyl-3-propylpiperazin-2-one

1-[(4-aminoquinazolin-7-yl)methyl]-4-[3-(5-chlorothiophen-2-yl)prop-2-enyl]-6-methyl-3-propylpiperazin-2-one (PubChem CID 67015075) has the molecular formula C24H28ClN5OS and a molecular weight of 470.04 g/mol. Its IUPAC name is 1-[(4-aminoquinazolin-7-yl)methyl]-4-[3-(5-chlorothiophen-2-yl)prop-2-enyl]-6-methyl-3-propylpiperazin-2-one.

Molecular Properties

• Compound Name: 1-[(4-aminoquinazolin-7-yl)methyl]-4-[3-(5-chlorothiophen-2-yl)prop-2-enyl]-6-methyl-3-propylpiperazin-2-one
• PubChem CID: 67015075
• Molecular Formula: C24H28ClN5OS
• Molecular Weight: 470.04 g/mol
• Exact Mass: 469.17
• IUPAC Name: 1-[(4-aminoquinazolin-7-yl)methyl]-4-[3-(5-chlorothiophen-2-yl)prop-2-enyl]-6-methyl-3-propylpiperazin-2-one
• SMILES: CCCC1C(=O)N(Cc2ccc3c(N)ncnc3c2)C(C)CN1CC=Cc1ccc(Cl)s1
• InChI: InChI=1S/C24H28ClN5OS/c1-3-5-21-24(31)30(14-17-7-9-19-20(12-17)27-15-28-23(19)26)16(2)13-29(21)11-4-6-18-8-10-22(25)32-18/h4,6-10,12,15-16,21H,3,5,11,13-14H2,1-2H3,(H2,26,27,28)
• InChIKey: PJGMPPQRTAXNJJ-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 75.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.04
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(4-aminoquinazolin-7-yl)methyl]-4-[3-(5-chlorothiophen-2-yl)prop-2-enyl]-6-methyl-3-propylpiperazin-2-one?

The IUPAC name of 1-[(4-aminoquinazolin-7-yl)methyl]-4-[3-(5-chlorothiophen-2-yl)prop-2-enyl]-6-methyl-3-propylpiperazin-2-one (CID 67015075) is 1-[(4-aminoquinazolin-7-yl)methyl]-4-[3-(5-chlorothiophen-2-yl)prop-2-enyl]-6-methyl-3-propylpiperazin-2-one.

What is the SMILES notation for 1-[(4-aminoquinazolin-7-yl)methyl]-4-[3-(5-chlorothiophen-2-yl)prop-2-enyl]-6-methyl-3-propylpiperazin-2-one?

The canonical SMILES for 1-[(4-aminoquinazolin-7-yl)methyl]-4-[3-(5-chlorothiophen-2-yl)prop-2-enyl]-6-methyl-3-propylpiperazin-2-one is CCCC1C(=O)N(Cc2ccc3c(N)ncnc3c2)C(C)CN1CC=Cc1ccc(Cl)s1.

What is the InChIKey of 1-[(4-aminoquinazolin-7-yl)methyl]-4-[3-(5-chlorothiophen-2-yl)prop-2-enyl]-6-methyl-3-propylpiperazin-2-one?

The InChIKey is PJGMPPQRTAXNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5OS/c1-3-5-21-24(31)30(14-17-7-9-19-20(12-17)27-15-28-23(19)26)16(2)13-29(21)11-4-6-18-8-10-22(25)32-18/h4,6-10,12,15-16,21H,3,5,11,13-14H2,1-2H3,(H2,26,27,28).

What are the key properties of 1-[(4-aminoquinazolin-7-yl)methyl]-4-[3-(5-chlorothiophen-2-yl)prop-2-enyl]-6-methyl-3-propylpiperazin-2-one?

1-[(4-aminoquinazolin-7-yl)methyl]-4-[3-(5-chlorothiophen-2-yl)prop-2-enyl]-6-methyl-3-propylpiperazin-2-one has a molecular weight of 470.04 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-aminoquinazolin-7-yl)methyl]-4-[3-(5-chlorothiophen-2-yl)prop-2-enyl]-6-methyl-3-propylpiperazin-2-one is sourced from PubChem (CID 67015075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).