N-[2-(dimethylamino)ethyl]-1-methyl-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-6-carboxamide

C26H36N6O2 — CID 138594711

About N-[2-(dimethylamino)ethyl]-1-methyl-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-6-carboxamide

N-[2-(dimethylamino)ethyl]-1-methyl-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-6-carboxamide (PubChem CID 138594711) has the molecular formula C26H36N6O2 and a molecular weight of 464.61 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-methyl-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-6-carboxamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-1-methyl-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-6-carboxamide
• PubChem CID: 138594711
• Molecular Formula: C26H36N6O2
• Molecular Weight: 464.61 g/mol
• Exact Mass: 464.29
• IUPAC Name: N-[2-(dimethylamino)ethyl]-1-methyl-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-6-carboxamide
• SMILES: CN(C)CCNC(=O)c1ccc2c(c1)N(C)CC21CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1
• InChI: InChI=1S/C26H36N6O2/c1-30(2)15-12-27-23(33)18-8-9-20-22(16-18)31(3)17-26(20)10-13-32(14-11-26)25-28-21-7-5-4-6-19(21)24(34)29-25/h8-9,16H,4-7,10-15,17H2,1-3H3,(H,27,33)(H,28,29,34)
• InChIKey: GPJDHKXMPPXIKG-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 84.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.61
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-methyl-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-6-carboxamide?

The IUPAC name of N-[2-(dimethylamino)ethyl]-1-methyl-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-6-carboxamide (CID 138594711) is N-[2-(dimethylamino)ethyl]-1-methyl-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-6-carboxamide.

What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-methyl-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-6-carboxamide?

The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-methyl-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-6-carboxamide is CN(C)CCNC(=O)c1ccc2c(c1)N(C)CC21CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1.

What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-methyl-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-6-carboxamide?

The InChIKey is GPJDHKXMPPXIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O2/c1-30(2)15-12-27-23(33)18-8-9-20-22(16-18)31(3)17-26(20)10-13-32(14-11-26)25-28-21-7-5-4-6-19(21)24(34)29-25/h8-9,16H,4-7,10-15,17H2,1-3H3,(H,27,33)(H,28,29,34).

What are the key properties of N-[2-(dimethylamino)ethyl]-1-methyl-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-6-carboxamide?

N-[2-(dimethylamino)ethyl]-1-methyl-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-6-carboxamide has a molecular weight of 464.61 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-1-methyl-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-6-carboxamide is sourced from PubChem (CID 138594711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).