N-(3-methoxypropyl)-5,6-dimethyl-N-[[6-(2-methylphenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide

C30H31N3O5 — CID 45210172

About N-(3-methoxypropyl)-5,6-dimethyl-N-[[6-(2-methylphenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide

N-(3-methoxypropyl)-5,6-dimethyl-N-[[6-(2-methylphenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 45210172) has the molecular formula C30H31N3O5 and a molecular weight of 513.59 g/mol. Its IUPAC name is N-(3-methoxypropyl)-5,6-dimethyl-N-[[6-(2-methylphenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(3-methoxypropyl)-5,6-dimethyl-N-[[6-(2-methylphenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
• PubChem CID: 45210172
• Molecular Formula: C30H31N3O5
• Molecular Weight: 513.59 g/mol
• Exact Mass: 513.23
• IUPAC Name: N-(3-methoxypropyl)-5,6-dimethyl-N-[[6-(2-methylphenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
• SMILES: COCCCN(Cc1cc2cc3c(cc2nc1-c1ccccc1C)OCO3)C(=O)c1cc(C)c(C)[nH]c1=O
• InChI: InChI=1S/C30H31N3O5/c1-18-8-5-6-9-23(18)28-22(13-21-14-26-27(38-17-37-26)15-25(21)32-28)16-33(10-7-11-36-4)30(35)24-12-19(2)20(3)31-29(24)34/h5-6,8-9,12-15H,7,10-11,16-17H2,1-4H3,(H,31,34)
• InChIKey: VKXBJSABIIZJCO-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 93.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.59
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-5,6-dimethyl-N-[[6-(2-methylphenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?

The IUPAC name of N-(3-methoxypropyl)-5,6-dimethyl-N-[[6-(2-methylphenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 45210172) is N-(3-methoxypropyl)-5,6-dimethyl-N-[[6-(2-methylphenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide.

What is the SMILES notation for N-(3-methoxypropyl)-5,6-dimethyl-N-[[6-(2-methylphenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?

The canonical SMILES for N-(3-methoxypropyl)-5,6-dimethyl-N-[[6-(2-methylphenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide is COCCCN(Cc1cc2cc3c(cc2nc1-c1ccccc1C)OCO3)C(=O)c1cc(C)c(C)[nH]c1=O.

What is the InChIKey of N-(3-methoxypropyl)-5,6-dimethyl-N-[[6-(2-methylphenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?

The InChIKey is VKXBJSABIIZJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O5/c1-18-8-5-6-9-23(18)28-22(13-21-14-26-27(38-17-37-26)15-25(21)32-28)16-33(10-7-11-36-4)30(35)24-12-19(2)20(3)31-29(24)34/h5-6,8-9,12-15H,7,10-11,16-17H2,1-4H3,(H,31,34).

What are the key properties of N-(3-methoxypropyl)-5,6-dimethyl-N-[[6-(2-methylphenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?

N-(3-methoxypropyl)-5,6-dimethyl-N-[[6-(2-methylphenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 513.59 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methoxypropyl)-5,6-dimethyl-N-[[6-(2-methylphenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 45210172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).