methyl 2-[3-(1-methoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylate

C24H29NO5 — CID 67439980

About methyl 2-[3-(1-methoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylate

methyl 2-[3-(1-methoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylate (PubChem CID 67439980) has the molecular formula C24H29NO5 and a molecular weight of 411.50 g/mol. Its IUPAC name is methyl 2-[3-(1-methoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylate.

Molecular Properties

• Compound Name: methyl 2-[3-(1-methoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylate
• PubChem CID: 67439980
• Molecular Formula: C24H29NO5
• Molecular Weight: 411.50 g/mol
• Exact Mass: 411.20
• IUPAC Name: methyl 2-[3-(1-methoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylate
• SMILES: COC(=O)c1ccc2c(c1)CC(C)(C)C(c1cccc(OC(C)(C)C(=O)OC)c1)N2
• InChI: InChI=1S/C24H29NO5/c1-23(2)14-17-12-16(21(26)28-5)10-11-19(17)25-20(23)15-8-7-9-18(13-15)30-24(3,4)22(27)29-6/h7-13,20,25H,14H2,1-6H3
• InChIKey: RSEZXVCNOYIYFF-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 73.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.50
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(1-methoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylate?

The IUPAC name of methyl 2-[3-(1-methoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylate (CID 67439980) is methyl 2-[3-(1-methoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylate.

What is the SMILES notation for methyl 2-[3-(1-methoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylate?

The canonical SMILES for methyl 2-[3-(1-methoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylate is COC(=O)c1ccc2c(c1)CC(C)(C)C(c1cccc(OC(C)(C)C(=O)OC)c1)N2.

What is the InChIKey of methyl 2-[3-(1-methoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylate?

The InChIKey is RSEZXVCNOYIYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO5/c1-23(2)14-17-12-16(21(26)28-5)10-11-19(17)25-20(23)15-8-7-9-18(13-15)30-24(3,4)22(27)29-6/h7-13,20,25H,14H2,1-6H3.

What are the key properties of methyl 2-[3-(1-methoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylate?

methyl 2-[3-(1-methoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylate has a molecular weight of 411.50 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[3-(1-methoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylate is sourced from PubChem (CID 67439980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).