4-anilino-2-(2,3-dihydroindol-1-yl)-7-methyl-7,8-dihydro-6H-quinazolin-5-one

C23H22N4O — CID 43902934

About 4-anilino-2-(2,3-dihydroindol-1-yl)-7-methyl-7,8-dihydro-6H-quinazolin-5-one

4-anilino-2-(2,3-dihydroindol-1-yl)-7-methyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 43902934) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 4-anilino-2-(2,3-dihydroindol-1-yl)-7-methyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

• Compound Name: 4-anilino-2-(2,3-dihydroindol-1-yl)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
• PubChem CID: 43902934
• Molecular Formula: C23H22N4O
• Molecular Weight: 370.46 g/mol
• Exact Mass: 370.18
• IUPAC Name: 4-anilino-2-(2,3-dihydroindol-1-yl)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
• SMILES: CC1CC(=O)c2c(nc(N3CCc4ccccc43)nc2Nc2ccccc2)C1
• InChI: InChI=1S/C23H22N4O/c1-15-13-18-21(20(28)14-15)22(24-17-8-3-2-4-9-17)26-23(25-18)27-12-11-16-7-5-6-10-19(16)27/h2-10,15H,11-14H2,1H3,(H,24,25,26)
• InChIKey: IRXDUMMHGCCFQJ-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.46
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-anilino-2-(2,3-dihydroindol-1-yl)-7-methyl-7,8-dihydro-6H-quinazolin-5-one?

The IUPAC name of 4-anilino-2-(2,3-dihydroindol-1-yl)-7-methyl-7,8-dihydro-6H-quinazolin-5-one (CID 43902934) is 4-anilino-2-(2,3-dihydroindol-1-yl)-7-methyl-7,8-dihydro-6H-quinazolin-5-one.

What is the SMILES notation for 4-anilino-2-(2,3-dihydroindol-1-yl)-7-methyl-7,8-dihydro-6H-quinazolin-5-one?

The canonical SMILES for 4-anilino-2-(2,3-dihydroindol-1-yl)-7-methyl-7,8-dihydro-6H-quinazolin-5-one is CC1CC(=O)c2c(nc(N3CCc4ccccc43)nc2Nc2ccccc2)C1.

What is the InChIKey of 4-anilino-2-(2,3-dihydroindol-1-yl)-7-methyl-7,8-dihydro-6H-quinazolin-5-one?

The InChIKey is IRXDUMMHGCCFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-15-13-18-21(20(28)14-15)22(24-17-8-3-2-4-9-17)26-23(25-18)27-12-11-16-7-5-6-10-19(16)27/h2-10,15H,11-14H2,1H3,(H,24,25,26).

What are the key properties of 4-anilino-2-(2,3-dihydroindol-1-yl)-7-methyl-7,8-dihydro-6H-quinazolin-5-one?

4-anilino-2-(2,3-dihydroindol-1-yl)-7-methyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 370.46 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-anilino-2-(2,3-dihydroindol-1-yl)-7-methyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 43902934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).