2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3,5-dichloro-2-pyridinyl)propanamide

C20H19Cl3N4O2S — CID 16592951

About 2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3,5-dichloro-2-pyridinyl)propanamide

2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3,5-dichloro-2-pyridinyl)propanamide (PubChem CID 16592951) has the molecular formula C20H19Cl3N4O2S and a molecular weight of 485.82 g/mol. Its IUPAC name is 2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3,5-dichloro-2-pyridinyl)propanamide.

Molecular Properties

• Compound Name: 2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3,5-dichloro-2-pyridinyl)propanamide
• PubChem CID: 16592951
• Molecular Formula: C20H19Cl3N4O2S
• Molecular Weight: 485.82 g/mol
• Exact Mass: 484.03
• IUPAC Name: 2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3,5-dichloro-2-pyridinyl)propanamide
• SMILES: CC(C)Cn1c(SC(C)C(=O)Nc2ncc(Cl)cc2Cl)nc2ccc(Cl)cc2c1=O
• InChI: InChI=1S/C20H19Cl3N4O2S/c1-10(2)9-27-19(29)14-6-12(21)4-5-16(14)25-20(27)30-11(3)18(28)26-17-15(23)7-13(22)8-24-17/h4-8,10-11H,9H2,1-3H3,(H,24,26,28)
• InChIKey: GASCXWLFZXCWNN-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 76.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.82
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3,5-dichloro-2-pyridinyl)propanamide?

The IUPAC name of 2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3,5-dichloro-2-pyridinyl)propanamide (CID 16592951) is 2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3,5-dichloro-2-pyridinyl)propanamide.

What is the SMILES notation for 2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3,5-dichloro-2-pyridinyl)propanamide?

The canonical SMILES for 2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3,5-dichloro-2-pyridinyl)propanamide is CC(C)Cn1c(SC(C)C(=O)Nc2ncc(Cl)cc2Cl)nc2ccc(Cl)cc2c1=O.

What is the InChIKey of 2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3,5-dichloro-2-pyridinyl)propanamide?

The InChIKey is GASCXWLFZXCWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl3N4O2S/c1-10(2)9-27-19(29)14-6-12(21)4-5-16(14)25-20(27)30-11(3)18(28)26-17-15(23)7-13(22)8-24-17/h4-8,10-11H,9H2,1-3H3,(H,24,26,28).

What are the key properties of 2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3,5-dichloro-2-pyridinyl)propanamide?

2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3,5-dichloro-2-pyridinyl)propanamide has a molecular weight of 485.82 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3,5-dichloro-2-pyridinyl)propanamide is sourced from PubChem (CID 16592951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).