N-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide

C30H32N4O6 — CID 121267614

About N-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide

N-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide (PubChem CID 121267614) has the molecular formula C30H32N4O6 and a molecular weight of 544.61 g/mol. Its IUPAC name is N-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide.

Molecular Properties

• Compound Name: N-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide
• PubChem CID: 121267614
• Molecular Formula: C30H32N4O6
• Molecular Weight: 544.61 g/mol
• Exact Mass: 544.23
• IUPAC Name: N-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide
• SMILES: COc1c(C(=O)N(C)CC2CCN(C(=O)CO)CC2)[nH]c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21
• InChI: InChI=1S/C30H32N4O6/c1-32(16-19-12-14-33(15-13-19)24(37)18-35)30(39)27-28(40-2)25-26(31-27)21-10-6-7-11-22(21)34(29(25)38)17-23(36)20-8-4-3-5-9-20/h3-11,19,31,35H,12-18H2,1-2H3
• InChIKey: DGECVLLXATTWML-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 124.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.61
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide?

The IUPAC name of N-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide (CID 121267614) is N-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide.

What is the SMILES notation for N-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide?

The canonical SMILES for N-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide is COc1c(C(=O)N(C)CC2CCN(C(=O)CO)CC2)[nH]c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21.

What is the InChIKey of N-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide?

The InChIKey is DGECVLLXATTWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O6/c1-32(16-19-12-14-33(15-13-19)24(37)18-35)30(39)27-28(40-2)25-26(31-27)21-10-6-7-11-22(21)34(29(25)38)17-23(36)20-8-4-3-5-9-20/h3-11,19,31,35H,12-18H2,1-2H3.

What are the key properties of N-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide?

N-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide has a molecular weight of 544.61 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 121267614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).