ethane;formaldehyde;3-methylphenol;(4-methylphenyl)methyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

C37H45NO7 — CID 177361081

About ethane;formaldehyde;3-methylphenol;(4-methylphenyl)methyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

ethane;formaldehyde;3-methylphenol;(4-methylphenyl)methyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate (PubChem CID 177361081) has the molecular formula C37H45NO7 and a molecular weight of 615.77 g/mol. Its IUPAC name is ethane;formaldehyde;3-methylphenol;(4-methylphenyl)methyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.

Molecular Properties

• Compound Name: ethane;formaldehyde;3-methylphenol;(4-methylphenyl)methyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
• PubChem CID: 177361081
• Molecular Formula: C37H45NO7
• Molecular Weight: 615.77 g/mol
• Exact Mass: 615.32
• IUPAC Name: ethane;formaldehyde;3-methylphenol;(4-methylphenyl)methyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
• SMILES: C=O.C=O.CC.COc1ccccc1C1CC(=O)C2=C(C1)NC(C)=C(C(=O)OCc1ccc(C)cc1)C2.Cc1cccc(O)c1
• InChI: InChI=1S/C26H27NO4.C7H8O.C2H6.2CH2O/c1-16-8-10-18(11-9-16)15-31-26(29)21-14-22-23(27-17(21)2)12-19(13-24(22)28)20-6-4-5-7-25(20)30-3;1-6-3-2-4-7(8)5-6;3*1-2/h4-11,19,27H,12-15H2,1-3H3;2-5,8H,1H3;1-2H3;2*1H2
• InChIKey: SAGMZXBXGMZGHT-UHFFFAOYSA-N
• XLogP: 7.07
• TPSA: 119.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	615.77
LogP ≤ 5	7.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethane;formaldehyde;3-methylphenol;(4-methylphenyl)methyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?

The IUPAC name of ethane;formaldehyde;3-methylphenol;(4-methylphenyl)methyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate (CID 177361081) is ethane;formaldehyde;3-methylphenol;(4-methylphenyl)methyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.

What is the SMILES notation for ethane;formaldehyde;3-methylphenol;(4-methylphenyl)methyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?

The canonical SMILES for ethane;formaldehyde;3-methylphenol;(4-methylphenyl)methyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate is C=O.C=O.CC.COc1ccccc1C1CC(=O)C2=C(C1)NC(C)=C(C(=O)OCc1ccc(C)cc1)C2.Cc1cccc(O)c1.

What is the InChIKey of ethane;formaldehyde;3-methylphenol;(4-methylphenyl)methyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?

The InChIKey is SAGMZXBXGMZGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO4.C7H8O.C2H6.2CH2O/c1-16-8-10-18(11-9-16)15-31-26(29)21-14-22-23(27-17(21)2)12-19(13-24(22)28)20-6-4-5-7-25(20)30-3;1-6-3-2-4-7(8)5-6;3*1-2/h4-11,19,27H,12-15H2,1-3H3;2-5,8H,1H3;1-2H3;2*1H2.

What are the key properties of ethane;formaldehyde;3-methylphenol;(4-methylphenyl)methyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?

ethane;formaldehyde;3-methylphenol;(4-methylphenyl)methyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate has a molecular weight of 615.77 g/mol, XLogP of 7.07, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;formaldehyde;3-methylphenol;(4-methylphenyl)methyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate is sourced from PubChem (CID 177361081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).