7-methyl-N-[2-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinazolin-6-yl]-2,3-dihydro-1H-indole-2-carboxamide

C23H30N6O — CID 146644417

About 7-methyl-N-[2-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinazolin-6-yl]-2,3-dihydro-1H-indole-2-carboxamide

7-methyl-N-[2-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinazolin-6-yl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 146644417) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is 7-methyl-N-[2-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinazolin-6-yl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 7-methyl-N-[2-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinazolin-6-yl]-2,3-dihydro-1H-indole-2-carboxamide
• PubChem CID: 146644417
• Molecular Formula: C23H30N6O
• Molecular Weight: 406.53 g/mol
• Exact Mass: 406.25
• IUPAC Name: 7-methyl-N-[2-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinazolin-6-yl]-2,3-dihydro-1H-indole-2-carboxamide
• SMILES: Cc1cccc2c1NC(C(=O)Nc1ccc3c(c1)CNC(CN1CCNCC1)N3)C2
• InChI: InChI=1S/C23H30N6O/c1-15-3-2-4-16-12-20(28-22(15)16)23(30)26-18-5-6-19-17(11-18)13-25-21(27-19)14-29-9-7-24-8-10-29/h2-6,11,20-21,24-25,27-28H,7-10,12-14H2,1H3,(H,26,30)
• InChIKey: QGIRYWFXIYCDCV-UHFFFAOYSA-N
• XLogP: 1.72
• TPSA: 80.46 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.53
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[2-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinazolin-6-yl]-2,3-dihydro-1H-indole-2-carboxamide?

The IUPAC name of 7-methyl-N-[2-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinazolin-6-yl]-2,3-dihydro-1H-indole-2-carboxamide (CID 146644417) is 7-methyl-N-[2-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinazolin-6-yl]-2,3-dihydro-1H-indole-2-carboxamide.

What is the SMILES notation for 7-methyl-N-[2-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinazolin-6-yl]-2,3-dihydro-1H-indole-2-carboxamide?

The canonical SMILES for 7-methyl-N-[2-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinazolin-6-yl]-2,3-dihydro-1H-indole-2-carboxamide is Cc1cccc2c1NC(C(=O)Nc1ccc3c(c1)CNC(CN1CCNCC1)N3)C2.

What is the InChIKey of 7-methyl-N-[2-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinazolin-6-yl]-2,3-dihydro-1H-indole-2-carboxamide?

The InChIKey is QGIRYWFXIYCDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O/c1-15-3-2-4-16-12-20(28-22(15)16)23(30)26-18-5-6-19-17(11-18)13-25-21(27-19)14-29-9-7-24-8-10-29/h2-6,11,20-21,24-25,27-28H,7-10,12-14H2,1H3,(H,26,30).

What are the key properties of 7-methyl-N-[2-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinazolin-6-yl]-2,3-dihydro-1H-indole-2-carboxamide?

7-methyl-N-[2-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinazolin-6-yl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 1.72, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methyl-N-[2-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinazolin-6-yl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 146644417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).