[2-(cyclohexylamino)-2-oxoethyl] acetate;3-methoxy-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide

C31H34N4O7 — CID 143856800

About [2-(cyclohexylamino)-2-oxoethyl] acetate;3-methoxy-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide

[2-(cyclohexylamino)-2-oxoethyl] acetate;3-methoxy-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide (PubChem CID 143856800) has the molecular formula C31H34N4O7 and a molecular weight of 574.63 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] acetate;3-methoxy-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide.

Molecular Properties

• Compound Name: [2-(cyclohexylamino)-2-oxoethyl] acetate;3-methoxy-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide
• PubChem CID: 143856800
• Molecular Formula: C31H34N4O7
• Molecular Weight: 574.63 g/mol
• Exact Mass: 574.24
• IUPAC Name: [2-(cyclohexylamino)-2-oxoethyl] acetate;3-methoxy-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide
• SMILES: CC(=O)OCC(=O)NC1CCCCC1.COc1c(C(N)=O)[nH]c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21
• InChI: InChI=1S/C21H17N3O4.C10H17NO3/c1-28-19-16-17(23-18(19)20(22)26)13-9-5-6-10-14(13)24(21(16)27)11-15(25)12-7-3-2-4-8-12;1-8(12)14-7-10(13)11-9-5-3-2-4-6-9/h2-10,23H,11H2,1H3,(H2,22,26);9H,2-7H2,1H3,(H,11,13)
• InChIKey: CGNNPNYOHLSJLI-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 162.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.63
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] acetate;3-methoxy-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide?

The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] acetate;3-methoxy-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide (CID 143856800) is [2-(cyclohexylamino)-2-oxoethyl] acetate;3-methoxy-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide.

What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] acetate;3-methoxy-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide?

The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] acetate;3-methoxy-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide is CC(=O)OCC(=O)NC1CCCCC1.COc1c(C(N)=O)[nH]c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21.

What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] acetate;3-methoxy-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide?

The InChIKey is CGNNPNYOHLSJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4.C10H17NO3/c1-28-19-16-17(23-18(19)20(22)26)13-9-5-6-10-14(13)24(21(16)27)11-15(25)12-7-3-2-4-8-12;1-8(12)14-7-10(13)11-9-5-3-2-4-6-9/h2-10,23H,11H2,1H3,(H2,22,26);9H,2-7H2,1H3,(H,11,13).

What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] acetate;3-methoxy-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide?

[2-(cyclohexylamino)-2-oxoethyl] acetate;3-methoxy-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide has a molecular weight of 574.63 g/mol, XLogP of 3.47, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(cyclohexylamino)-2-oxoethyl] acetate;3-methoxy-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 143856800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).