6-(2-aminoethyl)-8-anilino-2H-2,7-naphthyridin-1-one;2-[2-(1-anilino-8-methoxy-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione;2-[2-(1-anilino-8-oxo-7H-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione;ethane;hydrazine

C71H76N14O7 — CID 159328952

IUPAC6-(2-aminoethyl)-8-anilino-2H-2,7-naphthyridin-1-one;2-[2-(1-anilino-8-methoxy-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione;2-[2-(1-anilino-8-oxo-7H-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione;ethane;hydrazine
SMILESCC.CC.CC.COc1nccc2cc(CCN3C(=O)c4ccccc4C3=O)nc(Nc3ccccc3)c12.NCCc1cc2cc[nH]c(=O)c2c(Nc2ccccc2)n1.NN.O=C1c2ccccc2C(=O)N1CCc1cc2cc[nH]c(=O)c2c(Nc2ccccc2)n1
InChIInChI=1S/C25H20N4O3.C24H18N4O3.C16H16N4O.3C2H6.H4N2/c1-32-23-21-16(11-13-26-23)15-18(28-22(21)27-17-7-3-2-4-8-17)12-14-29-24(30)19-9-5-6-10-20(19)25(29)31;29-22-20-15(10-12-25-22)14-17(27-21(20)26-16-6-2-1-3-7-16)11-13-28-23(30)18-8-4-5-9-19(18)24(28)31;17-8-6-13-10-11-7-9-18-16(21)14(11)15(20-13)19-12-4-2-1-3-5-12;4*1-2/h2-11,13,15H,12,14H2,1H3,(H,27,28);1-10,12,14H,11,13H2,(H,25,29)(H,26,27);1-5,7,9-10H,6,8,17H2,(H,18,21)(H,19,20);3*1-2H3;1-2H2
InChIKeyLESOMDHYTYBYEG-UHFFFAOYSA-N
MW1237.48 g/mol
LogP11.79
Rot. Bonds15

About 6-(2-aminoethyl)-8-anilino-2H-2,7-naphthyridin-1-one;2-[2-(1-anilino-8-methoxy-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione;2-[2-(1-anilino-8-oxo-7H-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione;ethane;hydrazine

6-(2-aminoethyl)-8-anilino-2H-2,7-naphthyridin-1-one;2-[2-(1-anilino-8-methoxy-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione;2-[2-(1-anilino-8-oxo-7H-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione;ethane;hydrazine (PubChem CID 159328952) has the molecular formula C71H76N14O7 and a molecular weight of 1237.48 g/mol. Its IUPAC name is 6-(2-aminoethyl)-8-anilino-2H-2,7-naphthyridin-1-one;2-[2-(1-anilino-8-methoxy-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione;2-[2-(1-anilino-8-oxo-7H-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione;ethane;hydrazine.

Molecular Properties

Compound Name6-(2-aminoethyl)-8-anilino-2H-2,7-naphthyridin-1-one;2-[2-(1-anilino-8-methoxy-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione;2-[2-(1-anilino-8-oxo-7H-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione;ethane;hydrazine
PubChem CID159328952
Molecular FormulaC71H76N14O7
Molecular Weight1237.48 g/mol
Exact Mass1236.60
IUPAC Name6-(2-aminoethyl)-8-anilino-2H-2,7-naphthyridin-1-one;2-[2-(1-anilino-8-methoxy-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione;2-[2-(1-anilino-8-oxo-7H-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione;ethane;hydrazine
SMILESCC.CC.CC.COc1nccc2cc(CCN3C(=O)c4ccccc4C3=O)nc(Nc3ccccc3)c12.NCCc1cc2cc[nH]c(=O)c2c(Nc2ccccc2)n1.NN.O=C1c2ccccc2C(=O)N1CCc1cc2cc[nH]c(=O)c2c(Nc2ccccc2)n1
InChIInChI=1S/C25H20N4O3.C24H18N4O3.C16H16N4O.3C2H6.H4N2/c1-32-23-21-16(11-13-26-23)15-18(28-22(21)27-17-7-3-2-4-8-17)12-14-29-24(30)19-9-5-6-10-20(19)25(29)31;29-22-20-15(10-12-25-22)14-17(27-21(20)26-16-6-2-1-3-7-16)11-13-28-23(30)18-8-4-5-9-19(18)24(28)31;17-8-6-13-10-11-7-9-18-16(21)14(11)15(20-13)19-12-4-2-1-3-5-12;4*1-2/h2-11,13,15H,12,14H2,1H3,(H,27,28);1-10,12,14H,11,13H2,(H,25,29)(H,26,27);1-5,7,9-10H,6,8,17H2,(H,18,21)(H,19,20);3*1-2H3;1-2H2
InChIKeyLESOMDHYTYBYEG-UHFFFAOYSA-N
XLogP11.79
TPSA315.42 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds15
Heavy Atoms92
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001237.48
LogP ≤ 511.79
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 6-(2-aminoethyl)-8-anilino-2H-2,7-naphthyridin-1-one;2-[2-(1-anilino-8-methoxy-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione;2-[2-(1-anilino-8-oxo-7H-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione;ethane;hydrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-8-anilino-2H-2,7-naphthyridin-1-one;2-[2-(1-anilino-8-methoxy-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione;2-[2-(1-anilino-8-oxo-7H-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione;ethane;hydrazine?
The IUPAC name of 6-(2-aminoethyl)-8-anilino-2H-2,7-naphthyridin-1-one;2-[2-(1-anilino-8-methoxy-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione;2-[2-(1-anilino-8-oxo-7H-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione;ethane;hydrazine (CID 159328952) is 6-(2-aminoethyl)-8-anilino-2H-2,7-naphthyridin-1-one;2-[2-(1-anilino-8-methoxy-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione;2-[2-(1-anilino-8-oxo-7H-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione;ethane;hydrazine.
What is the SMILES notation for 6-(2-aminoethyl)-8-anilino-2H-2,7-naphthyridin-1-one;2-[2-(1-anilino-8-methoxy-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione;2-[2-(1-anilino-8-oxo-7H-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione;ethane;hydrazine?
The canonical SMILES for 6-(2-aminoethyl)-8-anilino-2H-2,7-naphthyridin-1-one;2-[2-(1-anilino-8-methoxy-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione;2-[2-(1-anilino-8-oxo-7H-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione;ethane;hydrazine is CC.CC.CC.COc1nccc2cc(CCN3C(=O)c4ccccc4C3=O)nc(Nc3ccccc3)c12.NCCc1cc2cc[nH]c(=O)c2c(Nc2ccccc2)n1.NN.O=C1c2ccccc2C(=O)N1CCc1cc2cc[nH]c(=O)c2c(Nc2ccccc2)n1.
What is the InChIKey of 6-(2-aminoethyl)-8-anilino-2H-2,7-naphthyridin-1-one;2-[2-(1-anilino-8-methoxy-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione;2-[2-(1-anilino-8-oxo-7H-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione;ethane;hydrazine?
The InChIKey is LESOMDHYTYBYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3.C24H18N4O3.C16H16N4O.3C2H6.H4N2/c1-32-23-21-16(11-13-26-23)15-18(28-22(21)27-17-7-3-2-4-8-17)12-14-29-24(30)19-9-5-6-10-20(19)25(29)31;29-22-20-15(10-12-25-22)14-17(27-21(20)26-16-6-2-1-3-7-16)11-13-28-23(30)18-8-4-5-9-19(18)24(28)31;17-8-6-13-10-11-7-9-18-16(21)14(11)15(20-13)19-12-4-2-1-3-5-12;4*1-2/h2-11,13,15H,12,14H2,1H3,(H,27,28);1-10,12,14H,11,13H2,(H,25,29)(H,26,27);1-5,7,9-10H,6,8,17H2,(H,18,21)(H,19,20);3*1-2H3;1-2H2.
What are the key properties of 6-(2-aminoethyl)-8-anilino-2H-2,7-naphthyridin-1-one;2-[2-(1-anilino-8-methoxy-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione;2-[2-(1-anilino-8-oxo-7H-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione;ethane;hydrazine?
6-(2-aminoethyl)-8-anilino-2H-2,7-naphthyridin-1-one;2-[2-(1-anilino-8-methoxy-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione;2-[2-(1-anilino-8-oxo-7H-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione;ethane;hydrazine has a molecular weight of 1237.48 g/mol, XLogP of 11.79, 15 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-8-anilino-2H-2,7-naphthyridin-1-one;2-[2-(1-anilino-8-methoxy-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione;2-[2-(1-anilino-8-oxo-7H-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione;ethane;hydrazine is sourced from PubChem (CID 159328952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).