3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]propanamide

C23H23N5O5 — CID 75356712

About 3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]propanamide

3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]propanamide (PubChem CID 75356712) has the molecular formula C23H23N5O5 and a molecular weight of 449.47 g/mol. Its IUPAC name is 3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]propanamide.

Molecular Properties

• Compound Name: 3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]propanamide
• PubChem CID: 75356712
• Molecular Formula: C23H23N5O5
• Molecular Weight: 449.47 g/mol
• Exact Mass: 449.17
• IUPAC Name: 3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]propanamide
• SMILES: COCCn1cnc2ccc(NC(=O)CCC3NC(=O)c4ccccc4NC3=O)cc2c1=O
• InChI: InChI=1S/C23H23N5O5/c1-33-11-10-28-13-24-17-7-6-14(12-16(17)23(28)32)25-20(29)9-8-19-22(31)26-18-5-3-2-4-15(18)21(30)27-19/h2-7,12-13,19H,8-11H2,1H3,(H,25,29)(H,26,31)(H,27,30)
• InChIKey: GKWCAUPMNLUHLX-UHFFFAOYSA-N
• XLogP: 1.51
• TPSA: 131.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.47
LogP ≤ 5	1.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]propanamide?

The IUPAC name of 3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]propanamide (CID 75356712) is 3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]propanamide.

What is the SMILES notation for 3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]propanamide?

The canonical SMILES for 3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]propanamide is COCCn1cnc2ccc(NC(=O)CCC3NC(=O)c4ccccc4NC3=O)cc2c1=O.

What is the InChIKey of 3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]propanamide?

The InChIKey is GKWCAUPMNLUHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O5/c1-33-11-10-28-13-24-17-7-6-14(12-16(17)23(28)32)25-20(29)9-8-19-22(31)26-18-5-3-2-4-15(18)21(30)27-19/h2-7,12-13,19H,8-11H2,1H3,(H,25,29)(H,26,31)(H,27,30).

What are the key properties of 3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]propanamide?

3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]propanamide has a molecular weight of 449.47 g/mol, XLogP of 1.51, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]propanamide is sourced from PubChem (CID 75356712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).