N-cyclopentyl-3-[6,7-dimethoxy-1-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide

C27H32N4O7 — CID 46506250

About N-cyclopentyl-3-[6,7-dimethoxy-1-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide

N-cyclopentyl-3-[6,7-dimethoxy-1-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide (PubChem CID 46506250) has the molecular formula C27H32N4O7 and a molecular weight of 524.57 g/mol. Its IUPAC name is N-cyclopentyl-3-[6,7-dimethoxy-1-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-cyclopentyl-3-[6,7-dimethoxy-1-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide
• PubChem CID: 46506250
• Molecular Formula: C27H32N4O7
• Molecular Weight: 524.57 g/mol
• Exact Mass: 524.23
• IUPAC Name: N-cyclopentyl-3-[6,7-dimethoxy-1-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide
• SMILES: COc1ccc(NC(=O)Cn2c(=O)n(CCC(=O)NC3CCCC3)c(=O)c3cc(OC)c(OC)cc32)cc1
• InChI: InChI=1S/C27H32N4O7/c1-36-19-10-8-18(9-11-19)29-25(33)16-31-21-15-23(38-3)22(37-2)14-20(21)26(34)30(27(31)35)13-12-24(32)28-17-6-4-5-7-17/h8-11,14-15,17H,4-7,12-13,16H2,1-3H3,(H,28,32)(H,29,33)
• InChIKey: TXKZQVKXVLTXEX-UHFFFAOYSA-N
• XLogP: 2.28
• TPSA: 129.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.57
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[6,7-dimethoxy-1-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide?

The IUPAC name of N-cyclopentyl-3-[6,7-dimethoxy-1-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide (CID 46506250) is N-cyclopentyl-3-[6,7-dimethoxy-1-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide.

What is the SMILES notation for N-cyclopentyl-3-[6,7-dimethoxy-1-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide?

The canonical SMILES for N-cyclopentyl-3-[6,7-dimethoxy-1-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide is COc1ccc(NC(=O)Cn2c(=O)n(CCC(=O)NC3CCCC3)c(=O)c3cc(OC)c(OC)cc32)cc1.

What is the InChIKey of N-cyclopentyl-3-[6,7-dimethoxy-1-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide?

The InChIKey is TXKZQVKXVLTXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O7/c1-36-19-10-8-18(9-11-19)29-25(33)16-31-21-15-23(38-3)22(37-2)14-20(21)26(34)30(27(31)35)13-12-24(32)28-17-6-4-5-7-17/h8-11,14-15,17H,4-7,12-13,16H2,1-3H3,(H,28,32)(H,29,33).

What are the key properties of N-cyclopentyl-3-[6,7-dimethoxy-1-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide?

N-cyclopentyl-3-[6,7-dimethoxy-1-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide has a molecular weight of 524.57 g/mol, XLogP of 2.28, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-3-[6,7-dimethoxy-1-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide is sourced from PubChem (CID 46506250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).