3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylpropanamide

C24H25Cl2N3O2 — CID 55891425

About 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylpropanamide

3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylpropanamide (PubChem CID 55891425) has the molecular formula C24H25Cl2N3O2 and a molecular weight of 458.39 g/mol. Its IUPAC name is 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylpropanamide.

Molecular Properties

• Compound Name: 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylpropanamide
• PubChem CID: 55891425
• Molecular Formula: C24H25Cl2N3O2
• Molecular Weight: 458.39 g/mol
• Exact Mass: 457.13
• IUPAC Name: 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylpropanamide
• SMILES: CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1nc2ccccc2c(=O)n1C1CC1
• InChI: InChI=1S/C24H25Cl2N3O2/c1-15(2)28(14-16-7-10-19(25)20(26)13-16)23(30)12-11-22-27-21-6-4-3-5-18(21)24(31)29(22)17-8-9-17/h3-7,10,13,15,17H,8-9,11-12,14H2,1-2H3
• InChIKey: QZNXXOFKOVBNOF-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 55.20 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.39
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylpropanamide?

The IUPAC name of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylpropanamide (CID 55891425) is 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylpropanamide.

What is the SMILES notation for 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylpropanamide?

The canonical SMILES for 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylpropanamide is CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1nc2ccccc2c(=O)n1C1CC1.

What is the InChIKey of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylpropanamide?

The InChIKey is QZNXXOFKOVBNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N3O2/c1-15(2)28(14-16-7-10-19(25)20(26)13-16)23(30)12-11-22-27-21-6-4-3-5-18(21)24(31)29(22)17-8-9-17/h3-7,10,13,15,17H,8-9,11-12,14H2,1-2H3.

What are the key properties of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylpropanamide?

3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylpropanamide has a molecular weight of 458.39 g/mol, XLogP of 5.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 55891425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).