N-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide

C29H29N5O2 — CID 58829995

About N-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide

N-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide (PubChem CID 58829995) has the molecular formula C29H29N5O2 and a molecular weight of 479.58 g/mol. Its IUPAC name is N-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide.

Molecular Properties

• Compound Name: N-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide
• PubChem CID: 58829995
• Molecular Formula: C29H29N5O2
• Molecular Weight: 479.58 g/mol
• Exact Mass: 479.23
• IUPAC Name: N-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide
• SMILES: CNc1ncc2cc(-c3cc(C(=O)Nc4ccc5c(c4)N(C(C)=O)CC5(C)C)ccc3C)ccc2n1
• InChI: InChI=1S/C29H29N5O2/c1-17-6-7-20(13-23(17)19-8-11-25-21(12-19)15-31-28(30-5)33-25)27(36)32-22-9-10-24-26(14-22)34(18(2)35)16-29(24,3)4/h6-15H,16H2,1-5H3,(H,32,36)(H,30,31,33)
• InChIKey: FQOIWWHLHZOKSZ-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 87.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.58
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide?

The IUPAC name of N-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide (CID 58829995) is N-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide.

What is the SMILES notation for N-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide?

The canonical SMILES for N-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide is CNc1ncc2cc(-c3cc(C(=O)Nc4ccc5c(c4)N(C(C)=O)CC5(C)C)ccc3C)ccc2n1.

What is the InChIKey of N-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide?

The InChIKey is FQOIWWHLHZOKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O2/c1-17-6-7-20(13-23(17)19-8-11-25-21(12-19)15-31-28(30-5)33-25)27(36)32-22-9-10-24-26(14-22)34(18(2)35)16-29(24,3)4/h6-15H,16H2,1-5H3,(H,32,36)(H,30,31,33).

What are the key properties of N-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide?

N-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide has a molecular weight of 479.58 g/mol, XLogP of 5.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide is sourced from PubChem (CID 58829995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).