N-(3,5-dichloro-2-pyridinyl)-2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide

C24H20Cl2N4O2S — CID 24518583

About N-(3,5-dichloro-2-pyridinyl)-2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide

N-(3,5-dichloro-2-pyridinyl)-2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide (PubChem CID 24518583) has the molecular formula C24H20Cl2N4O2S and a molecular weight of 499.42 g/mol. Its IUPAC name is N-(3,5-dichloro-2-pyridinyl)-2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide.

Molecular Properties

• Compound Name: N-(3,5-dichloro-2-pyridinyl)-2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide
• PubChem CID: 24518583
• Molecular Formula: C24H20Cl2N4O2S
• Molecular Weight: 499.42 g/mol
• Exact Mass: 498.07
• IUPAC Name: N-(3,5-dichloro-2-pyridinyl)-2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide
• SMILES: Cc1ccc(Cn2c(SC(C)C(=O)Nc3ncc(Cl)cc3Cl)nc3ccccc3c2=O)cc1
• InChI: InChI=1S/C24H20Cl2N4O2S/c1-14-7-9-16(10-8-14)13-30-23(32)18-5-3-4-6-20(18)28-24(30)33-15(2)22(31)29-21-19(26)11-17(25)12-27-21/h3-12,15H,13H2,1-2H3,(H,27,29,31)
• InChIKey: JZDGYEIOEDLTMX-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 76.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.42
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-pyridinyl)-2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide?

The IUPAC name of N-(3,5-dichloro-2-pyridinyl)-2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide (CID 24518583) is N-(3,5-dichloro-2-pyridinyl)-2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide.

What is the SMILES notation for N-(3,5-dichloro-2-pyridinyl)-2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide?

The canonical SMILES for N-(3,5-dichloro-2-pyridinyl)-2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide is Cc1ccc(Cn2c(SC(C)C(=O)Nc3ncc(Cl)cc3Cl)nc3ccccc3c2=O)cc1.

What is the InChIKey of N-(3,5-dichloro-2-pyridinyl)-2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide?

The InChIKey is JZDGYEIOEDLTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N4O2S/c1-14-7-9-16(10-8-14)13-30-23(32)18-5-3-4-6-20(18)28-24(30)33-15(2)22(31)29-21-19(26)11-17(25)12-27-21/h3-12,15H,13H2,1-2H3,(H,27,29,31).

What are the key properties of N-(3,5-dichloro-2-pyridinyl)-2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide?

N-(3,5-dichloro-2-pyridinyl)-2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide has a molecular weight of 499.42 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dichloro-2-pyridinyl)-2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide is sourced from PubChem (CID 24518583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).