2-chloro-N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)benzamide

C28H27Cl2N3O2 — CID 42719928

About 2-chloro-N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)benzamide

2-chloro-N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)benzamide (PubChem CID 42719928) has the molecular formula C28H27Cl2N3O2 and a molecular weight of 508.45 g/mol. Its IUPAC name is 2-chloro-N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)benzamide
• PubChem CID: 42719928
• Molecular Formula: C28H27Cl2N3O2
• Molecular Weight: 508.45 g/mol
• Exact Mass: 507.15
• IUPAC Name: 2-chloro-N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)benzamide
• SMILES: Cc1c(Cl)cccc1-n1c(C(C)N(CC(C)C)C(=O)c2ccccc2Cl)nc2ccccc2c1=O
• InChI: InChI=1S/C28H27Cl2N3O2/c1-17(2)16-32(27(34)20-10-5-7-12-23(20)30)19(4)26-31-24-14-8-6-11-21(24)28(35)33(26)25-15-9-13-22(29)18(25)3/h5-15,17,19H,16H2,1-4H3
• InChIKey: KHPPGMDFCKZFCF-UHFFFAOYSA-N
• XLogP: 6.86
• TPSA: 55.20 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.45
LogP ≤ 5	6.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)benzamide?

The IUPAC name of 2-chloro-N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)benzamide (CID 42719928) is 2-chloro-N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)benzamide.

What is the SMILES notation for 2-chloro-N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)benzamide?

The canonical SMILES for 2-chloro-N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)benzamide is Cc1c(Cl)cccc1-n1c(C(C)N(CC(C)C)C(=O)c2ccccc2Cl)nc2ccccc2c1=O.

What is the InChIKey of 2-chloro-N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)benzamide?

The InChIKey is KHPPGMDFCKZFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27Cl2N3O2/c1-17(2)16-32(27(34)20-10-5-7-12-23(20)30)19(4)26-31-24-14-8-6-11-21(24)28(35)33(26)25-15-9-13-22(29)18(25)3/h5-15,17,19H,16H2,1-4H3.

What are the key properties of 2-chloro-N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)benzamide?

2-chloro-N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)benzamide has a molecular weight of 508.45 g/mol, XLogP of 6.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 42719928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).