2-[3,4-dichloro-6-(cyclohexylamino)-9-oxoacridin-10-yl]acetic acid;2-[5,6-dichloro-3-(dimethylamino)-2-methyl-9-oxoacridin-10-yl]acetic acid;2-(5,6-dichloro-2-methyl-3-morpholin-4-yl-9-oxoacridin-10-yl)acetic acid;2-(5,6-dichloro-2-methyl-9-oxo-3-piperidin-1-ylacridin-10-yl)acetic acid;2-(3,4-dichloro-6-morpholin-4-yl-9-oxoacridin-10-yl)acetic acid;2-(3,4-dichloro-9-oxo-6-piperidin-1-ylacridin-10-yl)acetic acid

C119H108Cl12N12O20 — CID 167704670

About 2-[3,4-dichloro-6-(cyclohexylamino)-9-oxoacridin-10-yl]acetic acid;2-[5,6-dichloro-3-(dimethylamino)-2-methyl-9-oxoacridin-10-yl]acetic acid;2-(5,6-dichloro-2-methyl-3-morpholin-4-yl-9-oxoacridin-10-yl)acetic acid;2-(5,6-dichloro-2-methyl-9-oxo-3-piperidin-1-ylacridin-10-yl)acetic acid;2-(3,4-dichloro-6-morpholin-4-yl-9-oxoacridin-10-yl)acetic acid;2-(3,4-dichloro-9-oxo-6-piperidin-1-ylacridin-10-yl)acetic acid

2-[3,4-dichloro-6-(cyclohexylamino)-9-oxoacridin-10-yl]acetic acid;2-[5,6-dichloro-3-(dimethylamino)-2-methyl-9-oxoacridin-10-yl]acetic acid;2-(5,6-dichloro-2-methyl-3-morpholin-4-yl-9-oxoacridin-10-yl)acetic acid;2-(5,6-dichloro-2-methyl-9-oxo-3-piperidin-1-ylacridin-10-yl)acetic acid;2-(3,4-dichloro-6-morpholin-4-yl-9-oxoacridin-10-yl)acetic acid;2-(3,4-dichloro-9-oxo-6-piperidin-1-ylacridin-10-yl)acetic acid (PubChem CID 167704670) has the molecular formula C119H108Cl12N12O20 and a molecular weight of 2451.67 g/mol. Its IUPAC name is 2-[3,4-dichloro-6-(cyclohexylamino)-9-oxoacridin-10-yl]acetic acid;2-[5,6-dichloro-3-(dimethylamino)-2-methyl-9-oxoacridin-10-yl]acetic acid;2-(5,6-dichloro-2-methyl-3-morpholin-4-yl-9-oxoacridin-10-yl)acetic acid;2-(5,6-dichloro-2-methyl-9-oxo-3-piperidin-1-ylacridin-10-yl)acetic acid;2-(3,4-dichloro-6-morpholin-4-yl-9-oxoacridin-10-yl)acetic acid;2-(3,4-dichloro-9-oxo-6-piperidin-1-ylacridin-10-yl)acetic acid.

Molecular Properties

• Compound Name: 2-[3,4-dichloro-6-(cyclohexylamino)-9-oxoacridin-10-yl]acetic acid;2-[5,6-dichloro-3-(dimethylamino)-2-methyl-9-oxoacridin-10-yl]acetic acid;2-(5,6-dichloro-2-methyl-3-morpholin-4-yl-9-oxoacridin-10-yl)acetic acid;2-(5,6-dichloro-2-methyl-9-oxo-3-piperidin-1-ylacridin-10-yl)acetic acid;2-(3,4-dichloro-6-morpholin-4-yl-9-oxoacridin-10-yl)acetic acid;2-(3,4-dichloro-9-oxo-6-piperidin-1-ylacridin-10-yl)acetic acid
• PubChem CID: 167704670
• Molecular Formula: C119H108Cl12N12O20
• Molecular Weight: 2451.67 g/mol
• Exact Mass: 2444.41
• IUPAC Name: 2-[3,4-dichloro-6-(cyclohexylamino)-9-oxoacridin-10-yl]acetic acid;2-[5,6-dichloro-3-(dimethylamino)-2-methyl-9-oxoacridin-10-yl]acetic acid;2-(5,6-dichloro-2-methyl-3-morpholin-4-yl-9-oxoacridin-10-yl)acetic acid;2-(5,6-dichloro-2-methyl-9-oxo-3-piperidin-1-ylacridin-10-yl)acetic acid;2-(3,4-dichloro-6-morpholin-4-yl-9-oxoacridin-10-yl)acetic acid;2-(3,4-dichloro-9-oxo-6-piperidin-1-ylacridin-10-yl)acetic acid
• SMILES: Cc1cc2c(=O)c3ccc(Cl)c(Cl)c3n(CC(=O)O)c2cc1N(C)C.Cc1cc2c(=O)c3ccc(Cl)c(Cl)c3n(CC(=O)O)c2cc1N1CCCCC1.Cc1cc2c(=O)c3ccc(Cl)c(Cl)c3n(CC(=O)O)c2cc1N1CCOCC1.O=C(O)Cn1c2cc(N3CCCCC3)ccc2c(=O)c2ccc(Cl)c(Cl)c21.O=C(O)Cn1c2cc(N3CCOCC3)ccc2c(=O)c2ccc(Cl)c(Cl)c21.O=C(O)Cn1c2cc(NC3CCCCC3)ccc2c(=O)c2ccc(Cl)c(Cl)c21
• InChI: InChI=1S/2C21H20Cl2N2O3.C20H18Cl2N2O4.C20H18Cl2N2O3.C19H16Cl2N2O4.C18H16Cl2N2O3/c1-12-9-14-17(10-16(12)24-7-3-2-4-8-24)25(11-18(26)27)20-13(21(14)28)5-6-15(22)19(20)23;22-16-9-8-15-20(19(16)23)25(11-18(26)27)17-10-13(6-7-14(17)21(15)28)24-12-4-2-1-3-5-12;1-11-8-13-16(9-15(11)23-4-6-28-7-5-23)24(10-17(25)26)19-12(20(13)27)2-3-14(21)18(19)22;21-15-7-6-14-19(18(15)22)24(11-17(25)26)16-10-12(4-5-13(16)20(14)27)23-8-2-1-3-9-23;20-14-4-3-13-18(17(14)21)23(10-16(24)25)15-9-11(1-2-12(15)19(13)26)22-5-7-27-8-6-22;1-9-6-11-14(7-13(9)21(2)3)22(8-15(23)24)17-10(18(11)25)4-5-12(19)16(17)20/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,26,27);6-10,12,24H,1-5,11H2,(H,26,27);2-3,8-9H,4-7,10H2,1H3,(H,25,26);4-7,10H,1-3,8-9,11H2,(H,25,26);1-4,9H,5-8,10H2,(H,24,25);4-7H,8H2,1-3H3,(H,23,24)
• InChIKey: YXPRBEPXEFEDKY-UHFFFAOYSA-N
• XLogP: 25.67
• TPSA: 402.49 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 19
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2451.67
LogP ≤ 5	25.67
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-dichloro-6-(cyclohexylamino)-9-oxoacridin-10-yl]acetic acid;2-[5,6-dichloro-3-(dimethylamino)-2-methyl-9-oxoacridin-10-yl]acetic acid;2-(5,6-dichloro-2-methyl-3-morpholin-4-yl-9-oxoacridin-10-yl)acetic acid;2-(5,6-dichloro-2-methyl-9-oxo-3-piperidin-1-ylacridin-10-yl)acetic acid;2-(3,4-dichloro-6-morpholin-4-yl-9-oxoacridin-10-yl)acetic acid;2-(3,4-dichloro-9-oxo-6-piperidin-1-ylacridin-10-yl)acetic acid?

The IUPAC name of 2-[3,4-dichloro-6-(cyclohexylamino)-9-oxoacridin-10-yl]acetic acid;2-[5,6-dichloro-3-(dimethylamino)-2-methyl-9-oxoacridin-10-yl]acetic acid;2-(5,6-dichloro-2-methyl-3-morpholin-4-yl-9-oxoacridin-10-yl)acetic acid;2-(5,6-dichloro-2-methyl-9-oxo-3-piperidin-1-ylacridin-10-yl)acetic acid;2-(3,4-dichloro-6-morpholin-4-yl-9-oxoacridin-10-yl)acetic acid;2-(3,4-dichloro-9-oxo-6-piperidin-1-ylacridin-10-yl)acetic acid (CID 167704670) is 2-[3,4-dichloro-6-(cyclohexylamino)-9-oxoacridin-10-yl]acetic acid;2-[5,6-dichloro-3-(dimethylamino)-2-methyl-9-oxoacridin-10-yl]acetic acid;2-(5,6-dichloro-2-methyl-3-morpholin-4-yl-9-oxoacridin-10-yl)acetic acid;2-(5,6-dichloro-2-methyl-9-oxo-3-piperidin-1-ylacridin-10-yl)acetic acid;2-(3,4-dichloro-6-morpholin-4-yl-9-oxoacridin-10-yl)acetic acid;2-(3,4-dichloro-9-oxo-6-piperidin-1-ylacridin-10-yl)acetic acid.

What is the SMILES notation for 2-[3,4-dichloro-6-(cyclohexylamino)-9-oxoacridin-10-yl]acetic acid;2-[5,6-dichloro-3-(dimethylamino)-2-methyl-9-oxoacridin-10-yl]acetic acid;2-(5,6-dichloro-2-methyl-3-morpholin-4-yl-9-oxoacridin-10-yl)acetic acid;2-(5,6-dichloro-2-methyl-9-oxo-3-piperidin-1-ylacridin-10-yl)acetic acid;2-(3,4-dichloro-6-morpholin-4-yl-9-oxoacridin-10-yl)acetic acid;2-(3,4-dichloro-9-oxo-6-piperidin-1-ylacridin-10-yl)acetic acid?

The canonical SMILES for 2-[3,4-dichloro-6-(cyclohexylamino)-9-oxoacridin-10-yl]acetic acid;2-[5,6-dichloro-3-(dimethylamino)-2-methyl-9-oxoacridin-10-yl]acetic acid;2-(5,6-dichloro-2-methyl-3-morpholin-4-yl-9-oxoacridin-10-yl)acetic acid;2-(5,6-dichloro-2-methyl-9-oxo-3-piperidin-1-ylacridin-10-yl)acetic acid;2-(3,4-dichloro-6-morpholin-4-yl-9-oxoacridin-10-yl)acetic acid;2-(3,4-dichloro-9-oxo-6-piperidin-1-ylacridin-10-yl)acetic acid is Cc1cc2c(=O)c3ccc(Cl)c(Cl)c3n(CC(=O)O)c2cc1N(C)C.Cc1cc2c(=O)c3ccc(Cl)c(Cl)c3n(CC(=O)O)c2cc1N1CCCCC1.Cc1cc2c(=O)c3ccc(Cl)c(Cl)c3n(CC(=O)O)c2cc1N1CCOCC1.O=C(O)Cn1c2cc(N3CCCCC3)ccc2c(=O)c2ccc(Cl)c(Cl)c21.O=C(O)Cn1c2cc(N3CCOCC3)ccc2c(=O)c2ccc(Cl)c(Cl)c21.O=C(O)Cn1c2cc(NC3CCCCC3)ccc2c(=O)c2ccc(Cl)c(Cl)c21.

What is the InChIKey of 2-[3,4-dichloro-6-(cyclohexylamino)-9-oxoacridin-10-yl]acetic acid;2-[5,6-dichloro-3-(dimethylamino)-2-methyl-9-oxoacridin-10-yl]acetic acid;2-(5,6-dichloro-2-methyl-3-morpholin-4-yl-9-oxoacridin-10-yl)acetic acid;2-(5,6-dichloro-2-methyl-9-oxo-3-piperidin-1-ylacridin-10-yl)acetic acid;2-(3,4-dichloro-6-morpholin-4-yl-9-oxoacridin-10-yl)acetic acid;2-(3,4-dichloro-9-oxo-6-piperidin-1-ylacridin-10-yl)acetic acid?

The InChIKey is YXPRBEPXEFEDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H20Cl2N2O3.C20H18Cl2N2O4.C20H18Cl2N2O3.C19H16Cl2N2O4.C18H16Cl2N2O3/c1-12-9-14-17(10-16(12)24-7-3-2-4-8-24)25(11-18(26)27)20-13(21(14)28)5-6-15(22)19(20)23;22-16-9-8-15-20(19(16)23)25(11-18(26)27)17-10-13(6-7-14(17)21(15)28)24-12-4-2-1-3-5-12;1-11-8-13-16(9-15(11)23-4-6-28-7-5-23)24(10-17(25)26)19-12(20(13)27)2-3-14(21)18(19)22;21-15-7-6-14-19(18(15)22)24(11-17(25)26)16-10-12(4-5-13(16)20(14)27)23-8-2-1-3-9-23;20-14-4-3-13-18(17(14)21)23(10-16(24)25)15-9-11(1-2-12(15)19(13)26)22-5-7-27-8-6-22;1-9-6-11-14(7-13(9)21(2)3)22(8-15(23)24)17-10(18(11)25)4-5-12(19)16(17)20/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,26,27);6-10,12,24H,1-5,11H2,(H,26,27);2-3,8-9H,4-7,10H2,1H3,(H,25,26);4-7,10H,1-3,8-9,11H2,(H,25,26);1-4,9H,5-8,10H2,(H,24,25);4-7H,8H2,1-3H3,(H,23,24).

What are the key properties of 2-[3,4-dichloro-6-(cyclohexylamino)-9-oxoacridin-10-yl]acetic acid;2-[5,6-dichloro-3-(dimethylamino)-2-methyl-9-oxoacridin-10-yl]acetic acid;2-(5,6-dichloro-2-methyl-3-morpholin-4-yl-9-oxoacridin-10-yl)acetic acid;2-(5,6-dichloro-2-methyl-9-oxo-3-piperidin-1-ylacridin-10-yl)acetic acid;2-(3,4-dichloro-6-morpholin-4-yl-9-oxoacridin-10-yl)acetic acid;2-(3,4-dichloro-9-oxo-6-piperidin-1-ylacridin-10-yl)acetic acid?

2-[3,4-dichloro-6-(cyclohexylamino)-9-oxoacridin-10-yl]acetic acid;2-[5,6-dichloro-3-(dimethylamino)-2-methyl-9-oxoacridin-10-yl]acetic acid;2-(5,6-dichloro-2-methyl-3-morpholin-4-yl-9-oxoacridin-10-yl)acetic acid;2-(5,6-dichloro-2-methyl-9-oxo-3-piperidin-1-ylacridin-10-yl)acetic acid;2-(3,4-dichloro-6-morpholin-4-yl-9-oxoacridin-10-yl)acetic acid;2-(3,4-dichloro-9-oxo-6-piperidin-1-ylacridin-10-yl)acetic acid has a molecular weight of 2451.67 g/mol, XLogP of 25.67, 19 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,4-dichloro-6-(cyclohexylamino)-9-oxoacridin-10-yl]acetic acid;2-[5,6-dichloro-3-(dimethylamino)-2-methyl-9-oxoacridin-10-yl]acetic acid;2-(5,6-dichloro-2-methyl-3-morpholin-4-yl-9-oxoacridin-10-yl)acetic acid;2-(5,6-dichloro-2-methyl-9-oxo-3-piperidin-1-ylacridin-10-yl)acetic acid;2-(3,4-dichloro-6-morpholin-4-yl-9-oxoacridin-10-yl)acetic acid;2-(3,4-dichloro-9-oxo-6-piperidin-1-ylacridin-10-yl)acetic acid is sourced from PubChem (CID 167704670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).