propan-2-yl (4R)-2,7,7-trimethyl-4-naphthalen-1-yl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate

C26H29NO3 — CID 6968622

About propan-2-yl (4R)-2,7,7-trimethyl-4-naphthalen-1-yl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate

propan-2-yl (4R)-2,7,7-trimethyl-4-naphthalen-1-yl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate (PubChem CID 6968622) has the molecular formula C26H29NO3 and a molecular weight of 403.52 g/mol. Its IUPAC name is propan-2-yl (4R)-2,7,7-trimethyl-4-naphthalen-1-yl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate.

Molecular Properties

• Compound Name: propan-2-yl (4R)-2,7,7-trimethyl-4-naphthalen-1-yl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate
• PubChem CID: 6968622
• Molecular Formula: C26H29NO3
• Molecular Weight: 403.52 g/mol
• Exact Mass: 403.21
• IUPAC Name: propan-2-yl (4R)-2,7,7-trimethyl-4-naphthalen-1-yl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate
• SMILES: CC1=NC2=C(C(=O)CC(C)(C)C2)[C@@H](c2cccc3ccccc23)C1C(=O)OC(C)C
• InChI: InChI=1S/C26H29NO3/c1-15(2)30-25(29)22-16(3)27-20-13-26(4,5)14-21(28)24(20)23(22)19-12-8-10-17-9-6-7-11-18(17)19/h6-12,15,22-23H,13-14H2,1-5H3/t22?,23-/m0/s1
• InChIKey: ZFHREFYOTVDXHL-WCSIJFPASA-N
• XLogP: 5.61
• TPSA: 55.73 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	403.52
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (4R)-2,7,7-trimethyl-4-naphthalen-1-yl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate?

The IUPAC name of propan-2-yl (4R)-2,7,7-trimethyl-4-naphthalen-1-yl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate (CID 6968622) is propan-2-yl (4R)-2,7,7-trimethyl-4-naphthalen-1-yl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate.

What is the SMILES notation for propan-2-yl (4R)-2,7,7-trimethyl-4-naphthalen-1-yl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate?

The canonical SMILES for propan-2-yl (4R)-2,7,7-trimethyl-4-naphthalen-1-yl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate is CC1=NC2=C(C(=O)CC(C)(C)C2)[C@@H](c2cccc3ccccc23)C1C(=O)OC(C)C.

What is the InChIKey of propan-2-yl (4R)-2,7,7-trimethyl-4-naphthalen-1-yl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate?

The InChIKey is ZFHREFYOTVDXHL-WCSIJFPASA-N. The full InChI is InChI=1S/C26H29NO3/c1-15(2)30-25(29)22-16(3)27-20-13-26(4,5)14-21(28)24(20)23(22)19-12-8-10-17-9-6-7-11-18(17)19/h6-12,15,22-23H,13-14H2,1-5H3/t22?,23-/m0/s1.

What are the key properties of propan-2-yl (4R)-2,7,7-trimethyl-4-naphthalen-1-yl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate?

propan-2-yl (4R)-2,7,7-trimethyl-4-naphthalen-1-yl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate has a molecular weight of 403.52 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl (4R)-2,7,7-trimethyl-4-naphthalen-1-yl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate is sourced from PubChem (CID 6968622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).