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

C29H32N4O5 — CID 143856696

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

N-[1-(2-hydroxyethyl)-2-methylpiperidin-4-yl]-3-methoxy-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide (PubChem CID 143856696) has the molecular formula C29H32N4O5 and a molecular weight of 516.60 g/mol. Its IUPAC name is N-[1-(2-hydroxyethyl)-2-methylpiperidin-4-yl]-3-methoxy-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-(2-hydroxyethyl)-2-methylpiperidin-4-yl]-3-methoxy-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide
• PubChem CID: 143856696
• Molecular Formula: C29H32N4O5
• Molecular Weight: 516.60 g/mol
• Exact Mass: 516.24
• IUPAC Name: N-[1-(2-hydroxyethyl)-2-methylpiperidin-4-yl]-3-methoxy-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide
• SMILES: COc1c(C(=O)NC2CCN(CCO)C(C)C2)[nH]c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21
• InChI: InChI=1S/C29H32N4O5/c1-18-16-20(12-13-32(18)14-15-34)30-28(36)26-27(38-2)24-25(31-26)21-10-6-7-11-22(21)33(29(24)37)17-23(35)19-8-4-3-5-9-19/h3-11,18,20,31,34H,12-17H2,1-2H3,(H,30,36)
• InChIKey: HKELSZMAWHFHSF-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 116.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.60
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[1-(2-hydroxyethyl)-2-methylpiperidin-4-yl]-3-methoxy-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide (CID 143856696) is N-[1-(2-hydroxyethyl)-2-methylpiperidin-4-yl]-3-methoxy-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide.

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

The canonical SMILES for N-[1-(2-hydroxyethyl)-2-methylpiperidin-4-yl]-3-methoxy-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide is COc1c(C(=O)NC2CCN(CCO)C(C)C2)[nH]c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21.

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

The InChIKey is HKELSZMAWHFHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O5/c1-18-16-20(12-13-32(18)14-15-34)30-28(36)26-27(38-2)24-25(31-26)21-10-6-7-11-22(21)33(29(24)37)17-23(35)19-8-4-3-5-9-19/h3-11,18,20,31,34H,12-17H2,1-2H3,(H,30,36).

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

N-[1-(2-hydroxyethyl)-2-methylpiperidin-4-yl]-3-methoxy-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide has a molecular weight of 516.60 g/mol, XLogP of 2.95, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2-hydroxyethyl)-2-methylpiperidin-4-yl]-3-methoxy-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 143856696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).