2-amino-3-methyl-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide

C27H22F3N5O2 — CID 156830433

About 2-amino-3-methyl-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide

2-amino-3-methyl-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide (PubChem CID 156830433) has the molecular formula C27H22F3N5O2 and a molecular weight of 505.50 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide.

Molecular Properties

• Compound Name: 2-amino-3-methyl-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
• PubChem CID: 156830433
• Molecular Formula: C27H22F3N5O2
• Molecular Weight: 505.50 g/mol
• Exact Mass: 505.17
• IUPAC Name: 2-amino-3-methyl-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
• SMILES: Cc1cc2cc(C(=O)N(Cc3ccc4c(c3)CNC4=O)Cc3ccc(C(F)(F)F)cn3)ccc2nc1N
• InChI: InChI=1S/C27H22F3N5O2/c1-15-8-18-10-17(3-7-23(18)34-24(15)31)26(37)35(14-21-5-4-20(12-32-21)27(28,29)30)13-16-2-6-22-19(9-16)11-33-25(22)36/h2-10,12H,11,13-14H2,1H3,(H2,31,34)(H,33,36)
• InChIKey: PARYSKYKWKFFGF-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 101.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.50
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?

The IUPAC name of 2-amino-3-methyl-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide (CID 156830433) is 2-amino-3-methyl-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide.

What is the SMILES notation for 2-amino-3-methyl-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?

The canonical SMILES for 2-amino-3-methyl-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide is Cc1cc2cc(C(=O)N(Cc3ccc4c(c3)CNC4=O)Cc3ccc(C(F)(F)F)cn3)ccc2nc1N.

What is the InChIKey of 2-amino-3-methyl-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?

The InChIKey is PARYSKYKWKFFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F3N5O2/c1-15-8-18-10-17(3-7-23(18)34-24(15)31)26(37)35(14-21-5-4-20(12-32-21)27(28,29)30)13-16-2-6-22-19(9-16)11-33-25(22)36/h2-10,12H,11,13-14H2,1H3,(H2,31,34)(H,33,36).

What are the key properties of 2-amino-3-methyl-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?

2-amino-3-methyl-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide has a molecular weight of 505.50 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-3-methyl-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide is sourced from PubChem (CID 156830433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).