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

C24H25N5O3 — CID 29160212

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

(7R)-4-anilino-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-methyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 29160212) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is (7R)-4-anilino-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-methyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

• Compound Name: (7R)-4-anilino-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-methyl-7,8-dihydro-6H-quinazolin-5-one
• PubChem CID: 29160212
• Molecular Formula: C24H25N5O3
• Molecular Weight: 431.50 g/mol
• Exact Mass: 431.20
• IUPAC Name: (7R)-4-anilino-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-methyl-7,8-dihydro-6H-quinazolin-5-one
• SMILES: C[C@H]1CC(=O)c2c(nc(N3CCN(C(=O)c4ccco4)CC3)nc2Nc2ccccc2)C1
• InChI: InChI=1S/C24H25N5O3/c1-16-14-18-21(19(30)15-16)22(25-17-6-3-2-4-7-17)27-24(26-18)29-11-9-28(10-12-29)23(31)20-8-5-13-32-20/h2-8,13,16H,9-12,14-15H2,1H3,(H,25,26,27)/t16-/m1/s1
• InChIKey: JCNTYAUDBZQIQK-MRXNPFEDSA-N
• XLogP: 3.54
• TPSA: 91.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.50
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (7R)-4-anilino-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-methyl-7,8-dihydro-6H-quinazolin-5-one (CID 29160212) is (7R)-4-anilino-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-methyl-7,8-dihydro-6H-quinazolin-5-one.

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

The canonical SMILES for (7R)-4-anilino-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-methyl-7,8-dihydro-6H-quinazolin-5-one is C[C@H]1CC(=O)c2c(nc(N3CCN(C(=O)c4ccco4)CC3)nc2Nc2ccccc2)C1.

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

The InChIKey is JCNTYAUDBZQIQK-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-16-14-18-21(19(30)15-16)22(25-17-6-3-2-4-7-17)27-24(26-18)29-11-9-28(10-12-29)23(31)20-8-5-13-32-20/h2-8,13,16H,9-12,14-15H2,1H3,(H,25,26,27)/t16-/m1/s1.

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

(7R)-4-anilino-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-methyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 431.50 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-4-anilino-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-methyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 29160212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).