sodium;ethanol;ethyl 4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]-1H-pyrrole-2-carboxylate;ethyl 4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]-1H-pyrrole-2-carboxylate;ethyl 4-[2-(5,6,7,8-tetrahydroquinolin-7-yl)ethyl]-1H-pyrrole-2-carboxylate;4-[2-(5,6,7,8-tetrahydroquinolin-7-yl)ethyl]-1H-pyrrole-2-carboxylic acid;hydroxide

C71H84N9NaO10 — CID 158773823

About sodium;ethanol;ethyl 4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]-1H-pyrrole-2-carboxylate;ethyl 4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]-1H-pyrrole-2-carboxylate;ethyl 4-[2-(5,6,7,8-tetrahydroquinolin-7-yl)ethyl]-1H-pyrrole-2-carboxylate;4-[2-(5,6,7,8-tetrahydroquinolin-7-yl)ethyl]-1H-pyrrole-2-carboxylic acid;hydroxide

sodium;ethanol;ethyl 4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]-1H-pyrrole-2-carboxylate;ethyl 4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]-1H-pyrrole-2-carboxylate;ethyl 4-[2-(5,6,7,8-tetrahydroquinolin-7-yl)ethyl]-1H-pyrrole-2-carboxylate;4-[2-(5,6,7,8-tetrahydroquinolin-7-yl)ethyl]-1H-pyrrole-2-carboxylic acid;hydroxide (PubChem CID 158773823) has the molecular formula C71H84N9NaO10 and a molecular weight of 1246.50 g/mol. Its IUPAC name is sodium;ethanol;ethyl 4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]-1H-pyrrole-2-carboxylate;ethyl 4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]-1H-pyrrole-2-carboxylate;ethyl 4-[2-(5,6,7,8-tetrahydroquinolin-7-yl)ethyl]-1H-pyrrole-2-carboxylate;4-[2-(5,6,7,8-tetrahydroquinolin-7-yl)ethyl]-1H-pyrrole-2-carboxylic acid;hydroxide.

Molecular Properties

• Compound Name: sodium;ethanol;ethyl 4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]-1H-pyrrole-2-carboxylate;ethyl 4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]-1H-pyrrole-2-carboxylate;ethyl 4-[2-(5,6,7,8-tetrahydroquinolin-7-yl)ethyl]-1H-pyrrole-2-carboxylate;4-[2-(5,6,7,8-tetrahydroquinolin-7-yl)ethyl]-1H-pyrrole-2-carboxylic acid;hydroxide
• PubChem CID: 158773823
• Molecular Formula: C71H84N9NaO10
• Molecular Weight: 1246.50 g/mol
• Exact Mass: 1245.62
• IUPAC Name: sodium;ethanol;ethyl 4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]-1H-pyrrole-2-carboxylate;ethyl 4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]-1H-pyrrole-2-carboxylate;ethyl 4-[2-(5,6,7,8-tetrahydroquinolin-7-yl)ethyl]-1H-pyrrole-2-carboxylate;4-[2-(5,6,7,8-tetrahydroquinolin-7-yl)ethyl]-1H-pyrrole-2-carboxylic acid;hydroxide
• SMILES: CCO.CCOC(=O)c1cc(/C=C/c2ccc3cccnc3n2)c[nH]1.CCOC(=O)c1cc(CCC2CCc3cccnc3C2)c[nH]1.CCOC(=O)c1cc(CCc2ccc3c(n2)CCCC3)c[nH]1.O=C(O)c1cc(CCC2CCc3cccnc3C2)c[nH]1.[Na+].[OH-]
• InChI: InChI=1S/2C18H22N2O2.C17H15N3O2.C16H18N2O2.C2H6O.Na.H2O/c1-2-22-18(21)17-11-14(12-20-17)6-5-13-7-8-15-4-3-9-19-16(15)10-13;1-2-22-18(21)17-11-13(12-19-17)7-9-15-10-8-14-5-3-4-6-16(14)20-15;1-2-22-17(21)15-10-12(11-19-15)5-7-14-8-6-13-4-3-9-18-16(13)20-14;19-16(20)15-9-12(10-18-15)4-3-11-5-6-13-2-1-7-17-14(13)8-11;1-2-3;;/h3-4,9,11-13,20H,2,5-8,10H2,1H3;8,10-12,19H,2-7,9H2,1H3;3-11,19H,2H2,1H3;1-2,7,9-11,18H,3-6,8H2,(H,19,20);3H,2H2,1H3;;1H2/q;;;;;+1;/p-1/b;;7-5+
• InChIKey: IQFINFPHJFUZNV-JEKQMMQZSA-M
• XLogP: 9.55
• TPSA: 294.04 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 18
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1246.50
LogP ≤ 5	9.55
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;ethanol;ethyl 4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]-1H-pyrrole-2-carboxylate;ethyl 4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]-1H-pyrrole-2-carboxylate;ethyl 4-[2-(5,6,7,8-tetrahydroquinolin-7-yl)ethyl]-1H-pyrrole-2-carboxylate;4-[2-(5,6,7,8-tetrahydroquinolin-7-yl)ethyl]-1H-pyrrole-2-carboxylic acid;hydroxide?

The IUPAC name of sodium;ethanol;ethyl 4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]-1H-pyrrole-2-carboxylate;ethyl 4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]-1H-pyrrole-2-carboxylate;ethyl 4-[2-(5,6,7,8-tetrahydroquinolin-7-yl)ethyl]-1H-pyrrole-2-carboxylate;4-[2-(5,6,7,8-tetrahydroquinolin-7-yl)ethyl]-1H-pyrrole-2-carboxylic acid;hydroxide (CID 158773823) is sodium;ethanol;ethyl 4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]-1H-pyrrole-2-carboxylate;ethyl 4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]-1H-pyrrole-2-carboxylate;ethyl 4-[2-(5,6,7,8-tetrahydroquinolin-7-yl)ethyl]-1H-pyrrole-2-carboxylate;4-[2-(5,6,7,8-tetrahydroquinolin-7-yl)ethyl]-1H-pyrrole-2-carboxylic acid;hydroxide.

What is the SMILES notation for sodium;ethanol;ethyl 4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]-1H-pyrrole-2-carboxylate;ethyl 4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]-1H-pyrrole-2-carboxylate;ethyl 4-[2-(5,6,7,8-tetrahydroquinolin-7-yl)ethyl]-1H-pyrrole-2-carboxylate;4-[2-(5,6,7,8-tetrahydroquinolin-7-yl)ethyl]-1H-pyrrole-2-carboxylic acid;hydroxide?

The canonical SMILES for sodium;ethanol;ethyl 4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]-1H-pyrrole-2-carboxylate;ethyl 4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]-1H-pyrrole-2-carboxylate;ethyl 4-[2-(5,6,7,8-tetrahydroquinolin-7-yl)ethyl]-1H-pyrrole-2-carboxylate;4-[2-(5,6,7,8-tetrahydroquinolin-7-yl)ethyl]-1H-pyrrole-2-carboxylic acid;hydroxide is CCO.CCOC(=O)c1cc(/C=C/c2ccc3cccnc3n2)c[nH]1.CCOC(=O)c1cc(CCC2CCc3cccnc3C2)c[nH]1.CCOC(=O)c1cc(CCc2ccc3c(n2)CCCC3)c[nH]1.O=C(O)c1cc(CCC2CCc3cccnc3C2)c[nH]1.[Na+].[OH-].

What is the InChIKey of sodium;ethanol;ethyl 4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]-1H-pyrrole-2-carboxylate;ethyl 4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]-1H-pyrrole-2-carboxylate;ethyl 4-[2-(5,6,7,8-tetrahydroquinolin-7-yl)ethyl]-1H-pyrrole-2-carboxylate;4-[2-(5,6,7,8-tetrahydroquinolin-7-yl)ethyl]-1H-pyrrole-2-carboxylic acid;hydroxide?

The InChIKey is IQFINFPHJFUZNV-JEKQMMQZSA-M. The full InChI is InChI=1S/2C18H22N2O2.C17H15N3O2.C16H18N2O2.C2H6O.Na.H2O/c1-2-22-18(21)17-11-14(12-20-17)6-5-13-7-8-15-4-3-9-19-16(15)10-13;1-2-22-18(21)17-11-13(12-19-17)7-9-15-10-8-14-5-3-4-6-16(14)20-15;1-2-22-17(21)15-10-12(11-19-15)5-7-14-8-6-13-4-3-9-18-16(13)20-14;19-16(20)15-9-12(10-18-15)4-3-11-5-6-13-2-1-7-17-14(13)8-11;1-2-3;;/h3-4,9,11-13,20H,2,5-8,10H2,1H3;8,10-12,19H,2-7,9H2,1H3;3-11,19H,2H2,1H3;1-2,7,9-11,18H,3-6,8H2,(H,19,20);3H,2H2,1H3;;1H2/q;;;;;+1;/p-1/b;;7-5+;;;;.

What are the key properties of sodium;ethanol;ethyl 4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]-1H-pyrrole-2-carboxylate;ethyl 4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]-1H-pyrrole-2-carboxylate;ethyl 4-[2-(5,6,7,8-tetrahydroquinolin-7-yl)ethyl]-1H-pyrrole-2-carboxylate;4-[2-(5,6,7,8-tetrahydroquinolin-7-yl)ethyl]-1H-pyrrole-2-carboxylic acid;hydroxide?

sodium;ethanol;ethyl 4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]-1H-pyrrole-2-carboxylate;ethyl 4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]-1H-pyrrole-2-carboxylate;ethyl 4-[2-(5,6,7,8-tetrahydroquinolin-7-yl)ethyl]-1H-pyrrole-2-carboxylate;4-[2-(5,6,7,8-tetrahydroquinolin-7-yl)ethyl]-1H-pyrrole-2-carboxylic acid;hydroxide has a molecular weight of 1246.50 g/mol, XLogP of 9.55, 18 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;ethanol;ethyl 4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]-1H-pyrrole-2-carboxylate;ethyl 4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]-1H-pyrrole-2-carboxylate;ethyl 4-[2-(5,6,7,8-tetrahydroquinolin-7-yl)ethyl]-1H-pyrrole-2-carboxylate;4-[2-(5,6,7,8-tetrahydroquinolin-7-yl)ethyl]-1H-pyrrole-2-carboxylic acid;hydroxide is sourced from PubChem (CID 158773823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).