(7R)-4-anilino-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-7,8-dihydro-6H-quinazolin-5-one

C21H27N5O2 — CID 29160215

About (7R)-4-anilino-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-7,8-dihydro-6H-quinazolin-5-one

(7R)-4-anilino-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 29160215) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is (7R)-4-anilino-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

• Compound Name: (7R)-4-anilino-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-7,8-dihydro-6H-quinazolin-5-one
• PubChem CID: 29160215
• Molecular Formula: C21H27N5O2
• Molecular Weight: 381.48 g/mol
• Exact Mass: 381.22
• IUPAC Name: (7R)-4-anilino-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-7,8-dihydro-6H-quinazolin-5-one
• SMILES: C[C@H]1CC(=O)c2c(nc(N3CCN(CCO)CC3)nc2Nc2ccccc2)C1
• InChI: InChI=1S/C21H27N5O2/c1-15-13-17-19(18(28)14-15)20(22-16-5-3-2-4-6-16)24-21(23-17)26-9-7-25(8-10-26)11-12-27/h2-6,15,27H,7-14H2,1H3,(H,22,23,24)/t15-/m1/s1
• InChIKey: XLAKWBAVKRAWJV-OAHLLOKOSA-N
• XLogP: 2.10
• TPSA: 81.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.48
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (7R)-4-anilino-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-7,8-dihydro-6H-quinazolin-5-one?

The IUPAC name of (7R)-4-anilino-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-7,8-dihydro-6H-quinazolin-5-one (CID 29160215) is (7R)-4-anilino-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-7,8-dihydro-6H-quinazolin-5-one.

What is the SMILES notation for (7R)-4-anilino-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-7,8-dihydro-6H-quinazolin-5-one?

The canonical SMILES for (7R)-4-anilino-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-7,8-dihydro-6H-quinazolin-5-one is C[C@H]1CC(=O)c2c(nc(N3CCN(CCO)CC3)nc2Nc2ccccc2)C1.

What is the InChIKey of (7R)-4-anilino-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-7,8-dihydro-6H-quinazolin-5-one?

The InChIKey is XLAKWBAVKRAWJV-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-15-13-17-19(18(28)14-15)20(22-16-5-3-2-4-6-16)24-21(23-17)26-9-7-25(8-10-26)11-12-27/h2-6,15,27H,7-14H2,1H3,(H,22,23,24)/t15-/m1/s1.

What are the key properties of (7R)-4-anilino-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-7,8-dihydro-6H-quinazolin-5-one?

(7R)-4-anilino-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 381.48 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-4-anilino-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 29160215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).