N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propyl-1,3-benzodioxole-5-carboxamide

C29H29N3O5 — CID 42723060

About N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propyl-1,3-benzodioxole-5-carboxamide

N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propyl-1,3-benzodioxole-5-carboxamide (PubChem CID 42723060) has the molecular formula C29H29N3O5 and a molecular weight of 499.57 g/mol. Its IUPAC name is N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propyl-1,3-benzodioxole-5-carboxamide.

Molecular Properties

• Compound Name: N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propyl-1,3-benzodioxole-5-carboxamide
• PubChem CID: 42723060
• Molecular Formula: C29H29N3O5
• Molecular Weight: 499.57 g/mol
• Exact Mass: 499.21
• IUPAC Name: N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propyl-1,3-benzodioxole-5-carboxamide
• SMILES: CCCN(C(=O)c1ccc2c(c1)OCO2)C(CC)c1nc2ccccc2c(=O)n1-c1ccccc1OC
• InChI: InChI=1S/C29H29N3O5/c1-4-16-31(28(33)19-14-15-25-26(17-19)37-18-36-25)22(5-2)27-30-21-11-7-6-10-20(21)29(34)32(27)23-12-8-9-13-24(23)35-3/h6-15,17,22H,4-5,16,18H2,1-3H3
• InChIKey: BPUMXEFFQNXAJT-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 82.89 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.57
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propyl-1,3-benzodioxole-5-carboxamide?

The IUPAC name of N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propyl-1,3-benzodioxole-5-carboxamide (CID 42723060) is N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propyl-1,3-benzodioxole-5-carboxamide.

What is the SMILES notation for N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propyl-1,3-benzodioxole-5-carboxamide?

The canonical SMILES for N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propyl-1,3-benzodioxole-5-carboxamide is CCCN(C(=O)c1ccc2c(c1)OCO2)C(CC)c1nc2ccccc2c(=O)n1-c1ccccc1OC.

What is the InChIKey of N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propyl-1,3-benzodioxole-5-carboxamide?

The InChIKey is BPUMXEFFQNXAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O5/c1-4-16-31(28(33)19-14-15-25-26(17-19)37-18-36-25)22(5-2)27-30-21-11-7-6-10-20(21)29(34)32(27)23-12-8-9-13-24(23)35-3/h6-15,17,22H,4-5,16,18H2,1-3H3.

What are the key properties of N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propyl-1,3-benzodioxole-5-carboxamide?

N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propyl-1,3-benzodioxole-5-carboxamide has a molecular weight of 499.57 g/mol, XLogP of 5.13, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propyl-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 42723060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).