7-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]-3-propan-2-yl-1H-quinazoline-2,4-dione

C25H27N7O3 — CID 39880184

About 7-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]-3-propan-2-yl-1H-quinazoline-2,4-dione

7-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]-3-propan-2-yl-1H-quinazoline-2,4-dione (PubChem CID 39880184) has the molecular formula C25H27N7O3 and a molecular weight of 473.54 g/mol. Its IUPAC name is 7-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]-3-propan-2-yl-1H-quinazoline-2,4-dione.

Molecular Properties

• Compound Name: 7-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]-3-propan-2-yl-1H-quinazoline-2,4-dione
• PubChem CID: 39880184
• Molecular Formula: C25H27N7O3
• Molecular Weight: 473.54 g/mol
• Exact Mass: 473.22
• IUPAC Name: 7-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]-3-propan-2-yl-1H-quinazoline-2,4-dione
• SMILES: CC(C)n1c(=O)[nH]c2cc(C(=O)N3CCN(Cc4nc(N)c5ccccc5n4)CC3)ccc2c1=O
• InChI: InChI=1S/C25H27N7O3/c1-15(2)32-24(34)18-8-7-16(13-20(18)28-25(32)35)23(33)31-11-9-30(10-12-31)14-21-27-19-6-4-3-5-17(19)22(26)29-21/h3-8,13,15H,9-12,14H2,1-2H3,(H,28,35)(H2,26,27,29)
• InChIKey: GYJBWTILUDDCQZ-UHFFFAOYSA-N
• XLogP: 1.75
• TPSA: 130.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.54
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]-3-propan-2-yl-1H-quinazoline-2,4-dione?

The IUPAC name of 7-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]-3-propan-2-yl-1H-quinazoline-2,4-dione (CID 39880184) is 7-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]-3-propan-2-yl-1H-quinazoline-2,4-dione.

What is the SMILES notation for 7-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]-3-propan-2-yl-1H-quinazoline-2,4-dione?

The canonical SMILES for 7-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]-3-propan-2-yl-1H-quinazoline-2,4-dione is CC(C)n1c(=O)[nH]c2cc(C(=O)N3CCN(Cc4nc(N)c5ccccc5n4)CC3)ccc2c1=O.

What is the InChIKey of 7-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]-3-propan-2-yl-1H-quinazoline-2,4-dione?

The InChIKey is GYJBWTILUDDCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O3/c1-15(2)32-24(34)18-8-7-16(13-20(18)28-25(32)35)23(33)31-11-9-30(10-12-31)14-21-27-19-6-4-3-5-17(19)22(26)29-21/h3-8,13,15H,9-12,14H2,1-2H3,(H,28,35)(H2,26,27,29).

What are the key properties of 7-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]-3-propan-2-yl-1H-quinazoline-2,4-dione?

7-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]-3-propan-2-yl-1H-quinazoline-2,4-dione has a molecular weight of 473.54 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]-3-propan-2-yl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 39880184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).