N-(5-chloro-2-methoxy-4-methylphenyl)-2-[3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide

C24H28ClN5O5 — CID 71064007

About N-(5-chloro-2-methoxy-4-methylphenyl)-2-[3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide

N-(5-chloro-2-methoxy-4-methylphenyl)-2-[3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide (PubChem CID 71064007) has the molecular formula C24H28ClN5O5 and a molecular weight of 501.97 g/mol. Its IUPAC name is N-(5-chloro-2-methoxy-4-methylphenyl)-2-[3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-methoxy-4-methylphenyl)-2-[3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide
• PubChem CID: 71064007
• Molecular Formula: C24H28ClN5O5
• Molecular Weight: 501.97 g/mol
• Exact Mass: 501.18
• IUPAC Name: N-(5-chloro-2-methoxy-4-methylphenyl)-2-[3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide
• SMILES: COc1cc(C)c(Cl)cc1NC(=O)Cn1c(=O)n(CC(=O)NCCN(C)C)c(=O)c2ccccc21
• InChI: InChI=1S/C24H28ClN5O5/c1-15-11-20(35-4)18(12-17(15)25)27-22(32)14-29-19-8-6-5-7-16(19)23(33)30(24(29)34)13-21(31)26-9-10-28(2)3/h5-8,11-12H,9-10,13-14H2,1-4H3,(H,26,31)(H,27,32)
• InChIKey: WEUXSBOTOOCFNX-UHFFFAOYSA-N
• XLogP: 1.45
• TPSA: 114.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.97
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxy-4-methylphenyl)-2-[3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide?

The IUPAC name of N-(5-chloro-2-methoxy-4-methylphenyl)-2-[3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide (CID 71064007) is N-(5-chloro-2-methoxy-4-methylphenyl)-2-[3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide.

What is the SMILES notation for N-(5-chloro-2-methoxy-4-methylphenyl)-2-[3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide?

The canonical SMILES for N-(5-chloro-2-methoxy-4-methylphenyl)-2-[3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide is COc1cc(C)c(Cl)cc1NC(=O)Cn1c(=O)n(CC(=O)NCCN(C)C)c(=O)c2ccccc21.

What is the InChIKey of N-(5-chloro-2-methoxy-4-methylphenyl)-2-[3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide?

The InChIKey is WEUXSBOTOOCFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O5/c1-15-11-20(35-4)18(12-17(15)25)27-22(32)14-29-19-8-6-5-7-16(19)23(33)30(24(29)34)13-21(31)26-9-10-28(2)3/h5-8,11-12H,9-10,13-14H2,1-4H3,(H,26,31)(H,27,32).

What are the key properties of N-(5-chloro-2-methoxy-4-methylphenyl)-2-[3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide?

N-(5-chloro-2-methoxy-4-methylphenyl)-2-[3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide has a molecular weight of 501.97 g/mol, XLogP of 1.45, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-methoxy-4-methylphenyl)-2-[3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide is sourced from PubChem (CID 71064007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).