4-(6,7-dihydroquinolin-2-ylmethoxy)-N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]benzamide

C36H39FN4O2 — CID 167099148

About 4-(6,7-dihydroquinolin-2-ylmethoxy)-N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]benzamide

4-(6,7-dihydroquinolin-2-ylmethoxy)-N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]benzamide (PubChem CID 167099148) has the molecular formula C36H39FN4O2 and a molecular weight of 578.73 g/mol. Its IUPAC name is 4-(6,7-dihydroquinolin-2-ylmethoxy)-N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]benzamide.

Molecular Properties

• Compound Name: 4-(6,7-dihydroquinolin-2-ylmethoxy)-N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]benzamide
• PubChem CID: 167099148
• Molecular Formula: C36H39FN4O2
• Molecular Weight: 578.73 g/mol
• Exact Mass: 578.31
• IUPAC Name: 4-(6,7-dihydroquinolin-2-ylmethoxy)-N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]benzamide
• SMILES: Cc1ccc2nc(C(C)(C)F)cc(NC3CCC(NC(=O)c4ccc(OCc5ccc6c(n5)=CCCC=6)cc4)CC3)c2c1
• InChI: InChI=1S/C36H39FN4O2/c1-23-8-19-32-30(20-23)33(21-34(41-32)36(2,3)37)38-26-13-15-27(16-14-26)40-35(42)25-10-17-29(18-11-25)43-22-28-12-9-24-6-4-5-7-31(24)39-28/h6-12,17-21,26-27H,4-5,13-16,22H2,1-3H3,(H,38,41)(H,40,42)
• InChIKey: OVZGZWLPCXLXDB-UHFFFAOYSA-N
• XLogP: 6.23
• TPSA: 76.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.73
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydroquinolin-2-ylmethoxy)-N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]benzamide?

The IUPAC name of 4-(6,7-dihydroquinolin-2-ylmethoxy)-N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]benzamide (CID 167099148) is 4-(6,7-dihydroquinolin-2-ylmethoxy)-N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]benzamide.

What is the SMILES notation for 4-(6,7-dihydroquinolin-2-ylmethoxy)-N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]benzamide?

The canonical SMILES for 4-(6,7-dihydroquinolin-2-ylmethoxy)-N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]benzamide is Cc1ccc2nc(C(C)(C)F)cc(NC3CCC(NC(=O)c4ccc(OCc5ccc6c(n5)=CCCC=6)cc4)CC3)c2c1.

What is the InChIKey of 4-(6,7-dihydroquinolin-2-ylmethoxy)-N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]benzamide?

The InChIKey is OVZGZWLPCXLXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H39FN4O2/c1-23-8-19-32-30(20-23)33(21-34(41-32)36(2,3)37)38-26-13-15-27(16-14-26)40-35(42)25-10-17-29(18-11-25)43-22-28-12-9-24-6-4-5-7-31(24)39-28/h6-12,17-21,26-27H,4-5,13-16,22H2,1-3H3,(H,38,41)(H,40,42).

What are the key properties of 4-(6,7-dihydroquinolin-2-ylmethoxy)-N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]benzamide?

4-(6,7-dihydroquinolin-2-ylmethoxy)-N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]benzamide has a molecular weight of 578.73 g/mol, XLogP of 6.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6,7-dihydroquinolin-2-ylmethoxy)-N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]benzamide is sourced from PubChem (CID 167099148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).