2-(4-bromoanilino)-3-(4-ethylpiperazin-1-yl)naphthalene-1,4-dione;2-(3-bromoanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione;2-(4-bromoanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione;2-(4-chloro-3-methylanilino)-3-pyrrolidin-1-ylnaphthalene-1,4-dione;2-(3,4-dichloroanilino)-3-(4-ethylpiperazin-1-yl)naphthalene-1,4-dione;2-(3,4-dichloroanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione;2-(3,4-dichloroanilino)-3-(4-propan-2-ylpiperazin-1-yl)naphthalene-1,4-dione;bis(2-(3-methylanilino)-3-piperidin-1-ylnaphthalene-1,4-dione)

C195H188Br3Cl7N24O18 — CID 165109443

About 2-(4-bromoanilino)-3-(4-ethylpiperazin-1-yl)naphthalene-1,4-dione;2-(3-bromoanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione;2-(4-bromoanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione;2-(4-chloro-3-methylanilino)-3-pyrrolidin-1-ylnaphthalene-1,4-dione;2-(3,4-dichloroanilino)-3-(4-ethylpiperazin-1-yl)naphthalene-1,4-dione;2-(3,4-dichloroanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione;2-(3,4-dichloroanilino)-3-(4-propan-2-ylpiperazin-1-yl)naphthalene-1,4-dione;bis(2-(3-methylanilino)-3-piperidin-1-ylnaphthalene-1,4-dione)

2-(4-bromoanilino)-3-(4-ethylpiperazin-1-yl)naphthalene-1,4-dione;2-(3-bromoanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione;2-(4-bromoanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione;2-(4-chloro-3-methylanilino)-3-pyrrolidin-1-ylnaphthalene-1,4-dione;2-(3,4-dichloroanilino)-3-(4-ethylpiperazin-1-yl)naphthalene-1,4-dione;2-(3,4-dichloroanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione;2-(3,4-dichloroanilino)-3-(4-propan-2-ylpiperazin-1-yl)naphthalene-1,4-dione;bis(2-(3-methylanilino)-3-piperidin-1-ylnaphthalene-1,4-dione) (PubChem CID 165109443) has the molecular formula C195H188Br3Cl7N24O18 and a molecular weight of 3643.68 g/mol. Its IUPAC name is 2-(4-bromoanilino)-3-(4-ethylpiperazin-1-yl)naphthalene-1,4-dione;2-(3-bromoanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione;2-(4-bromoanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione;2-(4-chloro-3-methylanilino)-3-pyrrolidin-1-ylnaphthalene-1,4-dione;2-(3,4-dichloroanilino)-3-(4-ethylpiperazin-1-yl)naphthalene-1,4-dione;2-(3,4-dichloroanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione;2-(3,4-dichloroanilino)-3-(4-propan-2-ylpiperazin-1-yl)naphthalene-1,4-dione;bis(2-(3-methylanilino)-3-piperidin-1-ylnaphthalene-1,4-dione).

Molecular Properties

• Compound Name: 2-(4-bromoanilino)-3-(4-ethylpiperazin-1-yl)naphthalene-1,4-dione;2-(3-bromoanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione;2-(4-bromoanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione;2-(4-chloro-3-methylanilino)-3-pyrrolidin-1-ylnaphthalene-1,4-dione;2-(3,4-dichloroanilino)-3-(4-ethylpiperazin-1-yl)naphthalene-1,4-dione;2-(3,4-dichloroanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione;2-(3,4-dichloroanilino)-3-(4-propan-2-ylpiperazin-1-yl)naphthalene-1,4-dione;bis(2-(3-methylanilino)-3-piperidin-1-ylnaphthalene-1,4-dione)
• PubChem CID: 165109443
• Molecular Formula: C195H188Br3Cl7N24O18
• Molecular Weight: 3643.68 g/mol
• Exact Mass: 3634.99
• IUPAC Name: 2-(4-bromoanilino)-3-(4-ethylpiperazin-1-yl)naphthalene-1,4-dione;2-(3-bromoanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione;2-(4-bromoanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione;2-(4-chloro-3-methylanilino)-3-pyrrolidin-1-ylnaphthalene-1,4-dione;2-(3,4-dichloroanilino)-3-(4-ethylpiperazin-1-yl)naphthalene-1,4-dione;2-(3,4-dichloroanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione;2-(3,4-dichloroanilino)-3-(4-propan-2-ylpiperazin-1-yl)naphthalene-1,4-dione;bis(2-(3-methylanilino)-3-piperidin-1-ylnaphthalene-1,4-dione)
• SMILES: CC(C)N1CCN(C2=C(Nc3ccc(Cl)c(Cl)c3)C(=O)c3ccccc3C2=O)CC1.CCN1CCN(C2=C(Nc3ccc(Br)cc3)C(=O)c3ccccc3C2=O)CC1.CCN1CCN(C2=C(Nc3ccc(Cl)c(Cl)c3)C(=O)c3ccccc3C2=O)CC1.CN1CCN(C2=C(Nc3ccc(Br)cc3)C(=O)c3ccccc3C2=O)CC1.CN1CCN(C2=C(Nc3ccc(Cl)c(Cl)c3)C(=O)c3ccccc3C2=O)CC1.CN1CCN(C2=C(Nc3cccc(Br)c3)C(=O)c3ccccc3C2=O)CC1.Cc1cc(NC2=C(N3CCCC3)C(=O)c3ccccc3C2=O)ccc1Cl.Cc1cccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)c1.Cc1cccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)c1
• InChI: InChI=1S/C23H23Cl2N3O2.C22H22BrN3O2.C22H21Cl2N3O2.2C22H22N2O2.2C21H20BrN3O2.C21H19Cl2N3O2.C21H19ClN2O2/c1-14(2)27-9-11-28(12-10-27)21-20(26-15-7-8-18(24)19(25)13-15)22(29)16-5-3-4-6-17(16)23(21)30;1-2-25-11-13-26(14-12-25)20-19(24-16-9-7-15(23)8-10-16)21(27)17-5-3-4-6-18(17)22(20)28;1-2-26-9-11-27(12-10-26)20-19(25-14-7-8-17(23)18(24)13-14)21(28)15-5-3-4-6-16(15)22(20)29;2*1-15-8-7-9-16(14-15)23-19-20(24-12-5-2-6-13-24)22(26)18-11-4-3-10-17(18)21(19)25;1-24-9-11-25(12-10-24)19-18(23-15-6-4-5-14(22)13-15)20(26)16-7-2-3-8-17(16)21(19)27;1-24-10-12-25(13-11-24)19-18(23-15-8-6-14(22)7-9-15)20(26)16-4-2-3-5-17(16)21(19)27;1-25-8-10-26(11-9-25)19-18(24-13-6-7-16(22)17(23)12-13)20(27)14-4-2-3-5-15(14)21(19)28;1-13-12-14(8-9-17(13)22)23-18-19(24-10-4-5-11-24)21(26)16-7-3-2-6-15(16)20(18)25/h3-8,13-14,26H,9-12H2,1-2H3;3-10,24H,2,11-14H2,1H3;3-8,13,25H,2,9-12H2,1H3;2*3-4,7-11,14,23H,2,5-6,12-13H2,1H3;2-8,13,23H,9-12H2,1H3;2-9,23H,10-13H2,1H3;2-7,12,24H,8-11H2,1H3;2-3,6-9,12,23H,4-5,10-11H2,1H3
• InChIKey: ZRUWUOKYPXXIEK-UHFFFAOYSA-N
• XLogP: 36.40
• TPSA: 464.13 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 42
• Rotatable Bonds: 30
• Heavy Atoms: 247
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3643.68
LogP ≤ 5	36.40
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-3-(4-ethylpiperazin-1-yl)naphthalene-1,4-dione;2-(3-bromoanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione;2-(4-bromoanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione;2-(4-chloro-3-methylanilino)-3-pyrrolidin-1-ylnaphthalene-1,4-dione;2-(3,4-dichloroanilino)-3-(4-ethylpiperazin-1-yl)naphthalene-1,4-dione;2-(3,4-dichloroanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione;2-(3,4-dichloroanilino)-3-(4-propan-2-ylpiperazin-1-yl)naphthalene-1,4-dione;bis(2-(3-methylanilino)-3-piperidin-1-ylnaphthalene-1,4-dione)?

The IUPAC name of 2-(4-bromoanilino)-3-(4-ethylpiperazin-1-yl)naphthalene-1,4-dione;2-(3-bromoanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione;2-(4-bromoanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione;2-(4-chloro-3-methylanilino)-3-pyrrolidin-1-ylnaphthalene-1,4-dione;2-(3,4-dichloroanilino)-3-(4-ethylpiperazin-1-yl)naphthalene-1,4-dione;2-(3,4-dichloroanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione;2-(3,4-dichloroanilino)-3-(4-propan-2-ylpiperazin-1-yl)naphthalene-1,4-dione;bis(2-(3-methylanilino)-3-piperidin-1-ylnaphthalene-1,4-dione) (CID 165109443) is 2-(4-bromoanilino)-3-(4-ethylpiperazin-1-yl)naphthalene-1,4-dione;2-(3-bromoanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione;2-(4-bromoanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione;2-(4-chloro-3-methylanilino)-3-pyrrolidin-1-ylnaphthalene-1,4-dione;2-(3,4-dichloroanilino)-3-(4-ethylpiperazin-1-yl)naphthalene-1,4-dione;2-(3,4-dichloroanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione;2-(3,4-dichloroanilino)-3-(4-propan-2-ylpiperazin-1-yl)naphthalene-1,4-dione;bis(2-(3-methylanilino)-3-piperidin-1-ylnaphthalene-1,4-dione).

What is the SMILES notation for 2-(4-bromoanilino)-3-(4-ethylpiperazin-1-yl)naphthalene-1,4-dione;2-(3-bromoanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione;2-(4-bromoanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione;2-(4-chloro-3-methylanilino)-3-pyrrolidin-1-ylnaphthalene-1,4-dione;2-(3,4-dichloroanilino)-3-(4-ethylpiperazin-1-yl)naphthalene-1,4-dione;2-(3,4-dichloroanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione;2-(3,4-dichloroanilino)-3-(4-propan-2-ylpiperazin-1-yl)naphthalene-1,4-dione;bis(2-(3-methylanilino)-3-piperidin-1-ylnaphthalene-1,4-dione)?

The canonical SMILES for 2-(4-bromoanilino)-3-(4-ethylpiperazin-1-yl)naphthalene-1,4-dione;2-(3-bromoanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione;2-(4-bromoanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione;2-(4-chloro-3-methylanilino)-3-pyrrolidin-1-ylnaphthalene-1,4-dione;2-(3,4-dichloroanilino)-3-(4-ethylpiperazin-1-yl)naphthalene-1,4-dione;2-(3,4-dichloroanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione;2-(3,4-dichloroanilino)-3-(4-propan-2-ylpiperazin-1-yl)naphthalene-1,4-dione;bis(2-(3-methylanilino)-3-piperidin-1-ylnaphthalene-1,4-dione) is CC(C)N1CCN(C2=C(Nc3ccc(Cl)c(Cl)c3)C(=O)c3ccccc3C2=O)CC1.CCN1CCN(C2=C(Nc3ccc(Br)cc3)C(=O)c3ccccc3C2=O)CC1.CCN1CCN(C2=C(Nc3ccc(Cl)c(Cl)c3)C(=O)c3ccccc3C2=O)CC1.CN1CCN(C2=C(Nc3ccc(Br)cc3)C(=O)c3ccccc3C2=O)CC1.CN1CCN(C2=C(Nc3ccc(Cl)c(Cl)c3)C(=O)c3ccccc3C2=O)CC1.CN1CCN(C2=C(Nc3cccc(Br)c3)C(=O)c3ccccc3C2=O)CC1.Cc1cc(NC2=C(N3CCCC3)C(=O)c3ccccc3C2=O)ccc1Cl.Cc1cccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)c1.Cc1cccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)c1.

What is the InChIKey of 2-(4-bromoanilino)-3-(4-ethylpiperazin-1-yl)naphthalene-1,4-dione;2-(3-bromoanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione;2-(4-bromoanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione;2-(4-chloro-3-methylanilino)-3-pyrrolidin-1-ylnaphthalene-1,4-dione;2-(3,4-dichloroanilino)-3-(4-ethylpiperazin-1-yl)naphthalene-1,4-dione;2-(3,4-dichloroanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione;2-(3,4-dichloroanilino)-3-(4-propan-2-ylpiperazin-1-yl)naphthalene-1,4-dione;bis(2-(3-methylanilino)-3-piperidin-1-ylnaphthalene-1,4-dione)?

The InChIKey is ZRUWUOKYPXXIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N3O2.C22H22BrN3O2.C22H21Cl2N3O2.2C22H22N2O2.2C21H20BrN3O2.C21H19Cl2N3O2.C21H19ClN2O2/c1-14(2)27-9-11-28(12-10-27)21-20(26-15-7-8-18(24)19(25)13-15)22(29)16-5-3-4-6-17(16)23(21)30;1-2-25-11-13-26(14-12-25)20-19(24-16-9-7-15(23)8-10-16)21(27)17-5-3-4-6-18(17)22(20)28;1-2-26-9-11-27(12-10-26)20-19(25-14-7-8-17(23)18(24)13-14)21(28)15-5-3-4-6-16(15)22(20)29;2*1-15-8-7-9-16(14-15)23-19-20(24-12-5-2-6-13-24)22(26)18-11-4-3-10-17(18)21(19)25;1-24-9-11-25(12-10-24)19-18(23-15-6-4-5-14(22)13-15)20(26)16-7-2-3-8-17(16)21(19)27;1-24-10-12-25(13-11-24)19-18(23-15-8-6-14(22)7-9-15)20(26)16-4-2-3-5-17(16)21(19)27;1-25-8-10-26(11-9-25)19-18(24-13-6-7-16(22)17(23)12-13)20(27)14-4-2-3-5-15(14)21(19)28;1-13-12-14(8-9-17(13)22)23-18-19(24-10-4-5-11-24)21(26)16-7-3-2-6-15(16)20(18)25/h3-8,13-14,26H,9-12H2,1-2H3;3-10,24H,2,11-14H2,1H3;3-8,13,25H,2,9-12H2,1H3;2*3-4,7-11,14,23H,2,5-6,12-13H2,1H3;2-8,13,23H,9-12H2,1H3;2-9,23H,10-13H2,1H3;2-7,12,24H,8-11H2,1H3;2-3,6-9,12,23H,4-5,10-11H2,1H3.

What are the key properties of 2-(4-bromoanilino)-3-(4-ethylpiperazin-1-yl)naphthalene-1,4-dione;2-(3-bromoanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione;2-(4-bromoanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione;2-(4-chloro-3-methylanilino)-3-pyrrolidin-1-ylnaphthalene-1,4-dione;2-(3,4-dichloroanilino)-3-(4-ethylpiperazin-1-yl)naphthalene-1,4-dione;2-(3,4-dichloroanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione;2-(3,4-dichloroanilino)-3-(4-propan-2-ylpiperazin-1-yl)naphthalene-1,4-dione;bis(2-(3-methylanilino)-3-piperidin-1-ylnaphthalene-1,4-dione)?

2-(4-bromoanilino)-3-(4-ethylpiperazin-1-yl)naphthalene-1,4-dione;2-(3-bromoanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione;2-(4-bromoanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione;2-(4-chloro-3-methylanilino)-3-pyrrolidin-1-ylnaphthalene-1,4-dione;2-(3,4-dichloroanilino)-3-(4-ethylpiperazin-1-yl)naphthalene-1,4-dione;2-(3,4-dichloroanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione;2-(3,4-dichloroanilino)-3-(4-propan-2-ylpiperazin-1-yl)naphthalene-1,4-dione;bis(2-(3-methylanilino)-3-piperidin-1-ylnaphthalene-1,4-dione) has a molecular weight of 3643.68 g/mol, XLogP of 36.40, 30 rotatable bonds, 9 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromoanilino)-3-(4-ethylpiperazin-1-yl)naphthalene-1,4-dione;2-(3-bromoanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione;2-(4-bromoanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione;2-(4-chloro-3-methylanilino)-3-pyrrolidin-1-ylnaphthalene-1,4-dione;2-(3,4-dichloroanilino)-3-(4-ethylpiperazin-1-yl)naphthalene-1,4-dione;2-(3,4-dichloroanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione;2-(3,4-dichloroanilino)-3-(4-propan-2-ylpiperazin-1-yl)naphthalene-1,4-dione;bis(2-(3-methylanilino)-3-piperidin-1-ylnaphthalene-1,4-dione) is sourced from PubChem (CID 165109443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).