2-amino-3-methyl-N-[(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide

C28H25F3N4O — CID 156830402

About 2-amino-3-methyl-N-[(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide

2-amino-3-methyl-N-[(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide (PubChem CID 156830402) has the molecular formula C28H25F3N4O and a molecular weight of 490.53 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide.

Molecular Properties

• Compound Name: 2-amino-3-methyl-N-[(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
• PubChem CID: 156830402
• Molecular Formula: C28H25F3N4O
• Molecular Weight: 490.53 g/mol
• Exact Mass: 490.20
• IUPAC Name: 2-amino-3-methyl-N-[(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
• SMILES: Cc1cc2cc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)[C@@H]3C[C@H](C)c4ccccc43)ccc2nc1N
• InChI: InChI=1S/C28H25F3N4O/c1-16-12-25(23-6-4-3-5-22(16)23)35(15-21-9-8-20(14-33-21)28(29,30)31)27(36)18-7-10-24-19(13-18)11-17(2)26(32)34-24/h3-11,13-14,16,25H,12,15H2,1-2H3,(H2,32,34)/t16-,25+/m0/s1
• InChIKey: NYZFSNZCQUZHLX-IVCQMTBJSA-N
• XLogP: 6.43
• TPSA: 72.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.53
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?

The IUPAC name of 2-amino-3-methyl-N-[(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide (CID 156830402) is 2-amino-3-methyl-N-[(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide.

What is the SMILES notation for 2-amino-3-methyl-N-[(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?

The canonical SMILES for 2-amino-3-methyl-N-[(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide is Cc1cc2cc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)[C@@H]3C[C@H](C)c4ccccc43)ccc2nc1N.

What is the InChIKey of 2-amino-3-methyl-N-[(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?

The InChIKey is NYZFSNZCQUZHLX-IVCQMTBJSA-N. The full InChI is InChI=1S/C28H25F3N4O/c1-16-12-25(23-6-4-3-5-22(16)23)35(15-21-9-8-20(14-33-21)28(29,30)31)27(36)18-7-10-24-19(13-18)11-17(2)26(32)34-24/h3-11,13-14,16,25H,12,15H2,1-2H3,(H2,32,34)/t16-,25+/m0/s1.

What are the key properties of 2-amino-3-methyl-N-[(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?

2-amino-3-methyl-N-[(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide has a molecular weight of 490.53 g/mol, XLogP of 6.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-3-methyl-N-[(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide is sourced from PubChem (CID 156830402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).