N-ethyl-4,6-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1H-indole-2-carboxamide

C22H22N4O2 — CID 137287070

About N-ethyl-4,6-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1H-indole-2-carboxamide

N-ethyl-4,6-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1H-indole-2-carboxamide (PubChem CID 137287070) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-ethyl-4,6-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: N-ethyl-4,6-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1H-indole-2-carboxamide
• PubChem CID: 137287070
• Molecular Formula: C22H22N4O2
• Molecular Weight: 374.44 g/mol
• Exact Mass: 374.17
• IUPAC Name: N-ethyl-4,6-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1H-indole-2-carboxamide
• SMILES: CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc2c(C)cc(C)cc2[nH]1
• InChI: InChI=1S/C22H22N4O2/c1-4-26(12-20-24-17-8-6-5-7-15(17)21(27)25-20)22(28)19-11-16-14(3)9-13(2)10-18(16)23-19/h5-11,23H,4,12H2,1-3H3,(H,24,25,27)
• InChIKey: FKKQBLYXJMLEBG-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 81.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.44
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,6-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1H-indole-2-carboxamide?

The IUPAC name of N-ethyl-4,6-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1H-indole-2-carboxamide (CID 137287070) is N-ethyl-4,6-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1H-indole-2-carboxamide.

What is the SMILES notation for N-ethyl-4,6-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1H-indole-2-carboxamide?

The canonical SMILES for N-ethyl-4,6-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1H-indole-2-carboxamide is CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc2c(C)cc(C)cc2[nH]1.

What is the InChIKey of N-ethyl-4,6-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1H-indole-2-carboxamide?

The InChIKey is FKKQBLYXJMLEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-4-26(12-20-24-17-8-6-5-7-15(17)21(27)25-20)22(28)19-11-16-14(3)9-13(2)10-18(16)23-19/h5-11,23H,4,12H2,1-3H3,(H,24,25,27).

What are the key properties of N-ethyl-4,6-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1H-indole-2-carboxamide?

N-ethyl-4,6-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1H-indole-2-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-4,6-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 137287070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).