cyclopentyl formate;2,6-dichloro-N-[1-[4-[1-methyl-7-(methylaminomethyl)-2,4-dioxoquinazolin-3-yl]phenyl]propan-2-yl]benzamide

C33H36Cl2N4O5 — CID 143264104

About cyclopentyl formate;2,6-dichloro-N-[1-[4-[1-methyl-7-(methylaminomethyl)-2,4-dioxoquinazolin-3-yl]phenyl]propan-2-yl]benzamide

cyclopentyl formate;2,6-dichloro-N-[1-[4-[1-methyl-7-(methylaminomethyl)-2,4-dioxoquinazolin-3-yl]phenyl]propan-2-yl]benzamide (PubChem CID 143264104) has the molecular formula C33H36Cl2N4O5 and a molecular weight of 639.58 g/mol. Its IUPAC name is cyclopentyl formate;2,6-dichloro-N-[1-[4-[1-methyl-7-(methylaminomethyl)-2,4-dioxoquinazolin-3-yl]phenyl]propan-2-yl]benzamide.

Molecular Properties

• Compound Name: cyclopentyl formate;2,6-dichloro-N-[1-[4-[1-methyl-7-(methylaminomethyl)-2,4-dioxoquinazolin-3-yl]phenyl]propan-2-yl]benzamide
• PubChem CID: 143264104
• Molecular Formula: C33H36Cl2N4O5
• Molecular Weight: 639.58 g/mol
• Exact Mass: 638.21
• IUPAC Name: cyclopentyl formate;2,6-dichloro-N-[1-[4-[1-methyl-7-(methylaminomethyl)-2,4-dioxoquinazolin-3-yl]phenyl]propan-2-yl]benzamide
• SMILES: CNCc1ccc2c(=O)n(-c3ccc(CC(C)NC(=O)c4c(Cl)cccc4Cl)cc3)c(=O)n(C)c2c1.O=COC1CCCC1
• InChI: InChI=1S/C27H26Cl2N4O3.C6H10O2/c1-16(31-25(34)24-21(28)5-4-6-22(24)29)13-17-7-10-19(11-8-17)33-26(35)20-12-9-18(15-30-2)14-23(20)32(3)27(33)36;7-5-8-6-3-1-2-4-6/h4-12,14,16,30H,13,15H2,1-3H3,(H,31,34);5-6H,1-4H2
• InChIKey: HZZAUSQLZBSJHY-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 111.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	639.58
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cyclopentyl formate;2,6-dichloro-N-[1-[4-[1-methyl-7-(methylaminomethyl)-2,4-dioxoquinazolin-3-yl]phenyl]propan-2-yl]benzamide?

The IUPAC name of cyclopentyl formate;2,6-dichloro-N-[1-[4-[1-methyl-7-(methylaminomethyl)-2,4-dioxoquinazolin-3-yl]phenyl]propan-2-yl]benzamide (CID 143264104) is cyclopentyl formate;2,6-dichloro-N-[1-[4-[1-methyl-7-(methylaminomethyl)-2,4-dioxoquinazolin-3-yl]phenyl]propan-2-yl]benzamide.

What is the SMILES notation for cyclopentyl formate;2,6-dichloro-N-[1-[4-[1-methyl-7-(methylaminomethyl)-2,4-dioxoquinazolin-3-yl]phenyl]propan-2-yl]benzamide?

The canonical SMILES for cyclopentyl formate;2,6-dichloro-N-[1-[4-[1-methyl-7-(methylaminomethyl)-2,4-dioxoquinazolin-3-yl]phenyl]propan-2-yl]benzamide is CNCc1ccc2c(=O)n(-c3ccc(CC(C)NC(=O)c4c(Cl)cccc4Cl)cc3)c(=O)n(C)c2c1.O=COC1CCCC1.

What is the InChIKey of cyclopentyl formate;2,6-dichloro-N-[1-[4-[1-methyl-7-(methylaminomethyl)-2,4-dioxoquinazolin-3-yl]phenyl]propan-2-yl]benzamide?

The InChIKey is HZZAUSQLZBSJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26Cl2N4O3.C6H10O2/c1-16(31-25(34)24-21(28)5-4-6-22(24)29)13-17-7-10-19(11-8-17)33-26(35)20-12-9-18(15-30-2)14-23(20)32(3)27(33)36;7-5-8-6-3-1-2-4-6/h4-12,14,16,30H,13,15H2,1-3H3,(H,31,34);5-6H,1-4H2.

What are the key properties of cyclopentyl formate;2,6-dichloro-N-[1-[4-[1-methyl-7-(methylaminomethyl)-2,4-dioxoquinazolin-3-yl]phenyl]propan-2-yl]benzamide?

cyclopentyl formate;2,6-dichloro-N-[1-[4-[1-methyl-7-(methylaminomethyl)-2,4-dioxoquinazolin-3-yl]phenyl]propan-2-yl]benzamide has a molecular weight of 639.58 g/mol, XLogP of 5.18, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopentyl formate;2,6-dichloro-N-[1-[4-[1-methyl-7-(methylaminomethyl)-2,4-dioxoquinazolin-3-yl]phenyl]propan-2-yl]benzamide is sourced from PubChem (CID 143264104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).