5-[(2,6-dichlorophenyl)methylamino]-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one;5-(3,3-dimethylbutan-2-ylamino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one;5-(2,2-dimethylpropylamino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one;ethane

C58H62Cl2F3N9O3 — CID 143777532

About 5-[(2,6-dichlorophenyl)methylamino]-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one;5-(3,3-dimethylbutan-2-ylamino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one;5-(2,2-dimethylpropylamino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one;ethane

5-[(2,6-dichlorophenyl)methylamino]-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one;5-(3,3-dimethylbutan-2-ylamino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one;5-(2,2-dimethylpropylamino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one;ethane (PubChem CID 143777532) has the molecular formula C58H62Cl2F3N9O3 and a molecular weight of 1061.09 g/mol. Its IUPAC name is 5-[(2,6-dichlorophenyl)methylamino]-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one;5-(3,3-dimethylbutan-2-ylamino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one;5-(2,2-dimethylpropylamino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one;ethane.

Molecular Properties

• Compound Name: 5-[(2,6-dichlorophenyl)methylamino]-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one;5-(3,3-dimethylbutan-2-ylamino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one;5-(2,2-dimethylpropylamino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one;ethane
• PubChem CID: 143777532
• Molecular Formula: C58H62Cl2F3N9O3
• Molecular Weight: 1061.09 g/mol
• Exact Mass: 1059.43
• IUPAC Name: 5-[(2,6-dichlorophenyl)methylamino]-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one;5-(3,3-dimethylbutan-2-ylamino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one;5-(2,2-dimethylpropylamino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one;ethane
• SMILES: CC.CC.CC(C)(C)CNc1nc2ccc(F)cc2c2c(=O)[nH]ccc12.CC(Nc1nc2ccc(F)cc2c2c(=O)[nH]ccc12)C(C)(C)C.O=c1[nH]ccc2c(NCc3c(Cl)cccc3Cl)nc3ccc(F)cc3c12
• InChI: InChI=1S/C19H12Cl2FN3O.C18H20FN3O.C17H18FN3O.2C2H6/c20-14-2-1-3-15(21)13(14)9-24-18-11-6-7-23-19(26)17(11)12-8-10(22)4-5-16(12)25-18;1-10(18(2,3)4)21-16-12-7-8-20-17(23)15(12)13-9-11(19)5-6-14(13)22-16;1-17(2,3)9-20-15-11-6-7-19-16(22)14(11)12-8-10(18)4-5-13(12)21-15;2*1-2/h1-8H,9H2,(H,23,26)(H,24,25);5-10H,1-4H3,(H,20,23)(H,21,22);4-8H,9H2,1-3H3,(H,19,22)(H,20,21);2*1-2H3
• InChIKey: ZPRMNDCUZACTEM-UHFFFAOYSA-N
• XLogP: 14.92
• TPSA: 173.34 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1061.09
LogP ≤ 5	14.92
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dichlorophenyl)methylamino]-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one;5-(3,3-dimethylbutan-2-ylamino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one;5-(2,2-dimethylpropylamino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one;ethane?

The IUPAC name of 5-[(2,6-dichlorophenyl)methylamino]-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one;5-(3,3-dimethylbutan-2-ylamino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one;5-(2,2-dimethylpropylamino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one;ethane (CID 143777532) is 5-[(2,6-dichlorophenyl)methylamino]-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one;5-(3,3-dimethylbutan-2-ylamino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one;5-(2,2-dimethylpropylamino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one;ethane.

What is the SMILES notation for 5-[(2,6-dichlorophenyl)methylamino]-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one;5-(3,3-dimethylbutan-2-ylamino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one;5-(2,2-dimethylpropylamino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one;ethane?

The canonical SMILES for 5-[(2,6-dichlorophenyl)methylamino]-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one;5-(3,3-dimethylbutan-2-ylamino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one;5-(2,2-dimethylpropylamino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one;ethane is CC.CC.CC(C)(C)CNc1nc2ccc(F)cc2c2c(=O)[nH]ccc12.CC(Nc1nc2ccc(F)cc2c2c(=O)[nH]ccc12)C(C)(C)C.O=c1[nH]ccc2c(NCc3c(Cl)cccc3Cl)nc3ccc(F)cc3c12.

What is the InChIKey of 5-[(2,6-dichlorophenyl)methylamino]-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one;5-(3,3-dimethylbutan-2-ylamino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one;5-(2,2-dimethylpropylamino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one;ethane?

The InChIKey is ZPRMNDCUZACTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2FN3O.C18H20FN3O.C17H18FN3O.2C2H6/c20-14-2-1-3-15(21)13(14)9-24-18-11-6-7-23-19(26)17(11)12-8-10(22)4-5-16(12)25-18;1-10(18(2,3)4)21-16-12-7-8-20-17(23)15(12)13-9-11(19)5-6-14(13)22-16;1-17(2,3)9-20-15-11-6-7-19-16(22)14(11)12-8-10(18)4-5-13(12)21-15;2*1-2/h1-8H,9H2,(H,23,26)(H,24,25);5-10H,1-4H3,(H,20,23)(H,21,22);4-8H,9H2,1-3H3,(H,19,22)(H,20,21);2*1-2H3.

What are the key properties of 5-[(2,6-dichlorophenyl)methylamino]-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one;5-(3,3-dimethylbutan-2-ylamino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one;5-(2,2-dimethylpropylamino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one;ethane?

5-[(2,6-dichlorophenyl)methylamino]-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one;5-(3,3-dimethylbutan-2-ylamino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one;5-(2,2-dimethylpropylamino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one;ethane has a molecular weight of 1061.09 g/mol, XLogP of 14.92, 7 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2,6-dichlorophenyl)methylamino]-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one;5-(3,3-dimethylbutan-2-ylamino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one;5-(2,2-dimethylpropylamino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one;ethane is sourced from PubChem (CID 143777532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).