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

C29H30N4O6 — CID 91159683

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

N-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide (PubChem CID 91159683) has the molecular formula C29H30N4O6 and a molecular weight of 530.58 g/mol. Its IUPAC name is N-[1-(2-hydroxyacetyl)piperidin-4-yl]-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]-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide
• PubChem CID: 91159683
• Molecular Formula: C29H30N4O6
• Molecular Weight: 530.58 g/mol
• Exact Mass: 530.22
• IUPAC Name: N-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide
• SMILES: COc1c(C(=O)N(C)C2CCN(C(=O)CO)CC2)[nH]c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21
• InChI: InChI=1S/C29H30N4O6/c1-31(19-12-14-32(15-13-19)23(36)17-34)29(38)26-27(39-2)24-25(30-26)20-10-6-7-11-21(20)33(28(24)37)16-22(35)18-8-4-3-5-9-18/h3-11,19,30,34H,12-17H2,1-2H3
• InChIKey: NSZRKEZJJNVAKZ-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 124.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.58
LogP ≤ 5	2.43
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]-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]-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide (CID 91159683) is N-[1-(2-hydroxyacetyl)piperidin-4-yl]-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]-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]-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide is COc1c(C(=O)N(C)C2CCN(C(=O)CO)CC2)[nH]c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21.

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

The InChIKey is NSZRKEZJJNVAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O6/c1-31(19-12-14-32(15-13-19)23(36)17-34)29(38)26-27(39-2)24-25(30-26)20-10-6-7-11-21(20)33(28(24)37)16-22(35)18-8-4-3-5-9-18/h3-11,19,30,34H,12-17H2,1-2H3.

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

N-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide has a molecular weight of 530.58 g/mol, XLogP of 2.43, 7 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]-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 91159683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).