N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide

C24H27ClN4O8 — CID 155317244

About N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide

N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide (PubChem CID 155317244) has the molecular formula C24H27ClN4O8 and a molecular weight of 534.95 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide
• PubChem CID: 155317244
• Molecular Formula: C24H27ClN4O8
• Molecular Weight: 534.95 g/mol
• Exact Mass: 534.15
• IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide
• SMILES: COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)NCCOCCO)c(=O)c3ccccc32)cc1Cl
• InChI: InChI=1S/C24H27ClN4O8/c1-35-19-12-20(36-2)17(11-16(19)25)27-22(32)14-28-18-6-4-3-5-15(18)23(33)29(24(28)34)13-21(31)26-7-9-37-10-8-30/h3-6,11-12,30H,7-10,13-14H2,1-2H3,(H,26,31)(H,27,32)
• InChIKey: QXEBJDZBJLDKFQ-UHFFFAOYSA-N
• XLogP: 0.60
• TPSA: 150.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.95
LogP ≤ 5	0.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide (CID 155317244) is N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide.

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

The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide is COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)NCCOCCO)c(=O)c3ccccc32)cc1Cl.

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

The InChIKey is QXEBJDZBJLDKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O8/c1-35-19-12-20(36-2)17(11-16(19)25)27-22(32)14-28-18-6-4-3-5-15(18)23(33)29(24(28)34)13-21(31)26-7-9-37-10-8-30/h3-6,11-12,30H,7-10,13-14H2,1-2H3,(H,26,31)(H,27,32).

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

N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide has a molecular weight of 534.95 g/mol, XLogP of 0.60, 12 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide is sourced from PubChem (CID 155317244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).