2-[3,4-dichloro-6-(cyclobutylamino)-9-oxoacridin-10-yl]acetic acid;2-[3,4-dichloro-6-(cyclohexen-1-yl)-9-oxoacridin-10-yl]acetic acid;2-(3,4-dichloro-6-cyclohexyl-9-oxoacridin-10-yl)acetic acid;2-[3,4-dichloro-6-(cyclopenten-1-yl)-9-oxoacridin-10-yl]acetic acid;2-[3,4-dichloro-6-(cyclopentylamino)-9-oxoacridin-10-yl]acetic acid;2-(3,4-dichloro-6-cyclopentyl-9-oxoacridin-10-yl)acetic acid

C121H102Cl12N8O18 — CID 167585440

About 2-[3,4-dichloro-6-(cyclobutylamino)-9-oxoacridin-10-yl]acetic acid;2-[3,4-dichloro-6-(cyclohexen-1-yl)-9-oxoacridin-10-yl]acetic acid;2-(3,4-dichloro-6-cyclohexyl-9-oxoacridin-10-yl)acetic acid;2-[3,4-dichloro-6-(cyclopenten-1-yl)-9-oxoacridin-10-yl]acetic acid;2-[3,4-dichloro-6-(cyclopentylamino)-9-oxoacridin-10-yl]acetic acid;2-(3,4-dichloro-6-cyclopentyl-9-oxoacridin-10-yl)acetic acid

2-[3,4-dichloro-6-(cyclobutylamino)-9-oxoacridin-10-yl]acetic acid;2-[3,4-dichloro-6-(cyclohexen-1-yl)-9-oxoacridin-10-yl]acetic acid;2-(3,4-dichloro-6-cyclohexyl-9-oxoacridin-10-yl)acetic acid;2-[3,4-dichloro-6-(cyclopenten-1-yl)-9-oxoacridin-10-yl]acetic acid;2-[3,4-dichloro-6-(cyclopentylamino)-9-oxoacridin-10-yl]acetic acid;2-(3,4-dichloro-6-cyclopentyl-9-oxoacridin-10-yl)acetic acid (PubChem CID 167585440) has the molecular formula C121H102Cl12N8O18 and a molecular weight of 2381.62 g/mol. Its IUPAC name is 2-[3,4-dichloro-6-(cyclobutylamino)-9-oxoacridin-10-yl]acetic acid;2-[3,4-dichloro-6-(cyclohexen-1-yl)-9-oxoacridin-10-yl]acetic acid;2-(3,4-dichloro-6-cyclohexyl-9-oxoacridin-10-yl)acetic acid;2-[3,4-dichloro-6-(cyclopenten-1-yl)-9-oxoacridin-10-yl]acetic acid;2-[3,4-dichloro-6-(cyclopentylamino)-9-oxoacridin-10-yl]acetic acid;2-(3,4-dichloro-6-cyclopentyl-9-oxoacridin-10-yl)acetic acid.

Molecular Properties

• Compound Name: 2-[3,4-dichloro-6-(cyclobutylamino)-9-oxoacridin-10-yl]acetic acid;2-[3,4-dichloro-6-(cyclohexen-1-yl)-9-oxoacridin-10-yl]acetic acid;2-(3,4-dichloro-6-cyclohexyl-9-oxoacridin-10-yl)acetic acid;2-[3,4-dichloro-6-(cyclopenten-1-yl)-9-oxoacridin-10-yl]acetic acid;2-[3,4-dichloro-6-(cyclopentylamino)-9-oxoacridin-10-yl]acetic acid;2-(3,4-dichloro-6-cyclopentyl-9-oxoacridin-10-yl)acetic acid
• PubChem CID: 167585440
• Molecular Formula: C121H102Cl12N8O18
• Molecular Weight: 2381.62 g/mol
• Exact Mass: 2374.36
• IUPAC Name: 2-[3,4-dichloro-6-(cyclobutylamino)-9-oxoacridin-10-yl]acetic acid;2-[3,4-dichloro-6-(cyclohexen-1-yl)-9-oxoacridin-10-yl]acetic acid;2-(3,4-dichloro-6-cyclohexyl-9-oxoacridin-10-yl)acetic acid;2-[3,4-dichloro-6-(cyclopenten-1-yl)-9-oxoacridin-10-yl]acetic acid;2-[3,4-dichloro-6-(cyclopentylamino)-9-oxoacridin-10-yl]acetic acid;2-(3,4-dichloro-6-cyclopentyl-9-oxoacridin-10-yl)acetic acid
• SMILES: O=C(O)Cn1c2cc(C3=CCCC3)ccc2c(=O)c2ccc(Cl)c(Cl)c21.O=C(O)Cn1c2cc(C3=CCCCC3)ccc2c(=O)c2ccc(Cl)c(Cl)c21.O=C(O)Cn1c2cc(C3CCCC3)ccc2c(=O)c2ccc(Cl)c(Cl)c21.O=C(O)Cn1c2cc(C3CCCCC3)ccc2c(=O)c2ccc(Cl)c(Cl)c21.O=C(O)Cn1c2cc(NC3CCC3)ccc2c(=O)c2ccc(Cl)c(Cl)c21.O=C(O)Cn1c2cc(NC3CCCC3)ccc2c(=O)c2ccc(Cl)c(Cl)c21
• InChI: InChI=1S/C21H19Cl2NO3.C21H17Cl2NO3.C20H18Cl2N2O3.C20H17Cl2NO3.C20H15Cl2NO3.C19H16Cl2N2O3/c2*22-16-9-8-15-20(19(16)23)24(11-18(25)26)17-10-13(6-7-14(17)21(15)27)12-4-2-1-3-5-12;21-15-8-7-14-19(18(15)22)24(10-17(25)26)16-9-12(5-6-13(16)20(14)27)23-11-3-1-2-4-11;2*21-15-8-7-14-19(18(15)22)23(10-17(24)25)16-9-12(11-3-1-2-4-11)5-6-13(16)20(14)26;20-14-7-6-13-18(17(14)21)23(9-16(24)25)15-8-11(22-10-2-1-3-10)4-5-12(15)19(13)26/h6-10,12H,1-5,11H2,(H,25,26);4,6-10H,1-3,5,11H2,(H,25,26);5-9,11,23H,1-4,10H2,(H,25,26);5-9,11H,1-4,10H2,(H,24,25);3,5-9H,1-2,4,10H2,(H,24,25);4-8,10,22H,1-3,9H2,(H,24,25)
• InChIKey: HSURUBQMWKNHHU-UHFFFAOYSA-N
• XLogP: 30.83
• TPSA: 379.86 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2381.62
LogP ≤ 5	30.83
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

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-(cyclobutylamino)-9-oxoacridin-10-yl]acetic acid;2-[3,4-dichloro-6-(cyclohexen-1-yl)-9-oxoacridin-10-yl]acetic acid;2-(3,4-dichloro-6-cyclohexyl-9-oxoacridin-10-yl)acetic acid;2-[3,4-dichloro-6-(cyclopenten-1-yl)-9-oxoacridin-10-yl]acetic acid;2-[3,4-dichloro-6-(cyclopentylamino)-9-oxoacridin-10-yl]acetic acid;2-(3,4-dichloro-6-cyclopentyl-9-oxoacridin-10-yl)acetic acid?

The IUPAC name of 2-[3,4-dichloro-6-(cyclobutylamino)-9-oxoacridin-10-yl]acetic acid;2-[3,4-dichloro-6-(cyclohexen-1-yl)-9-oxoacridin-10-yl]acetic acid;2-(3,4-dichloro-6-cyclohexyl-9-oxoacridin-10-yl)acetic acid;2-[3,4-dichloro-6-(cyclopenten-1-yl)-9-oxoacridin-10-yl]acetic acid;2-[3,4-dichloro-6-(cyclopentylamino)-9-oxoacridin-10-yl]acetic acid;2-(3,4-dichloro-6-cyclopentyl-9-oxoacridin-10-yl)acetic acid (CID 167585440) is 2-[3,4-dichloro-6-(cyclobutylamino)-9-oxoacridin-10-yl]acetic acid;2-[3,4-dichloro-6-(cyclohexen-1-yl)-9-oxoacridin-10-yl]acetic acid;2-(3,4-dichloro-6-cyclohexyl-9-oxoacridin-10-yl)acetic acid;2-[3,4-dichloro-6-(cyclopenten-1-yl)-9-oxoacridin-10-yl]acetic acid;2-[3,4-dichloro-6-(cyclopentylamino)-9-oxoacridin-10-yl]acetic acid;2-(3,4-dichloro-6-cyclopentyl-9-oxoacridin-10-yl)acetic acid.

What is the SMILES notation for 2-[3,4-dichloro-6-(cyclobutylamino)-9-oxoacridin-10-yl]acetic acid;2-[3,4-dichloro-6-(cyclohexen-1-yl)-9-oxoacridin-10-yl]acetic acid;2-(3,4-dichloro-6-cyclohexyl-9-oxoacridin-10-yl)acetic acid;2-[3,4-dichloro-6-(cyclopenten-1-yl)-9-oxoacridin-10-yl]acetic acid;2-[3,4-dichloro-6-(cyclopentylamino)-9-oxoacridin-10-yl]acetic acid;2-(3,4-dichloro-6-cyclopentyl-9-oxoacridin-10-yl)acetic acid?

The canonical SMILES for 2-[3,4-dichloro-6-(cyclobutylamino)-9-oxoacridin-10-yl]acetic acid;2-[3,4-dichloro-6-(cyclohexen-1-yl)-9-oxoacridin-10-yl]acetic acid;2-(3,4-dichloro-6-cyclohexyl-9-oxoacridin-10-yl)acetic acid;2-[3,4-dichloro-6-(cyclopenten-1-yl)-9-oxoacridin-10-yl]acetic acid;2-[3,4-dichloro-6-(cyclopentylamino)-9-oxoacridin-10-yl]acetic acid;2-(3,4-dichloro-6-cyclopentyl-9-oxoacridin-10-yl)acetic acid is O=C(O)Cn1c2cc(C3=CCCC3)ccc2c(=O)c2ccc(Cl)c(Cl)c21.O=C(O)Cn1c2cc(C3=CCCCC3)ccc2c(=O)c2ccc(Cl)c(Cl)c21.O=C(O)Cn1c2cc(C3CCCC3)ccc2c(=O)c2ccc(Cl)c(Cl)c21.O=C(O)Cn1c2cc(C3CCCCC3)ccc2c(=O)c2ccc(Cl)c(Cl)c21.O=C(O)Cn1c2cc(NC3CCC3)ccc2c(=O)c2ccc(Cl)c(Cl)c21.O=C(O)Cn1c2cc(NC3CCCC3)ccc2c(=O)c2ccc(Cl)c(Cl)c21.

What is the InChIKey of 2-[3,4-dichloro-6-(cyclobutylamino)-9-oxoacridin-10-yl]acetic acid;2-[3,4-dichloro-6-(cyclohexen-1-yl)-9-oxoacridin-10-yl]acetic acid;2-(3,4-dichloro-6-cyclohexyl-9-oxoacridin-10-yl)acetic acid;2-[3,4-dichloro-6-(cyclopenten-1-yl)-9-oxoacridin-10-yl]acetic acid;2-[3,4-dichloro-6-(cyclopentylamino)-9-oxoacridin-10-yl]acetic acid;2-(3,4-dichloro-6-cyclopentyl-9-oxoacridin-10-yl)acetic acid?

The InChIKey is HSURUBQMWKNHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2NO3.C21H17Cl2NO3.C20H18Cl2N2O3.C20H17Cl2NO3.C20H15Cl2NO3.C19H16Cl2N2O3/c2*22-16-9-8-15-20(19(16)23)24(11-18(25)26)17-10-13(6-7-14(17)21(15)27)12-4-2-1-3-5-12;21-15-8-7-14-19(18(15)22)24(10-17(25)26)16-9-12(5-6-13(16)20(14)27)23-11-3-1-2-4-11;2*21-15-8-7-14-19(18(15)22)23(10-17(24)25)16-9-12(11-3-1-2-4-11)5-6-13(16)20(14)26;20-14-7-6-13-18(17(14)21)23(9-16(24)25)15-8-11(22-10-2-1-3-10)4-5-12(15)19(13)26/h6-10,12H,1-5,11H2,(H,25,26);4,6-10H,1-3,5,11H2,(H,25,26);5-9,11,23H,1-4,10H2,(H,25,26);5-9,11H,1-4,10H2,(H,24,25);3,5-9H,1-2,4,10H2,(H,24,25);4-8,10,22H,1-3,9H2,(H,24,25).

What are the key properties of 2-[3,4-dichloro-6-(cyclobutylamino)-9-oxoacridin-10-yl]acetic acid;2-[3,4-dichloro-6-(cyclohexen-1-yl)-9-oxoacridin-10-yl]acetic acid;2-(3,4-dichloro-6-cyclohexyl-9-oxoacridin-10-yl)acetic acid;2-[3,4-dichloro-6-(cyclopenten-1-yl)-9-oxoacridin-10-yl]acetic acid;2-[3,4-dichloro-6-(cyclopentylamino)-9-oxoacridin-10-yl]acetic acid;2-(3,4-dichloro-6-cyclopentyl-9-oxoacridin-10-yl)acetic acid?

2-[3,4-dichloro-6-(cyclobutylamino)-9-oxoacridin-10-yl]acetic acid;2-[3,4-dichloro-6-(cyclohexen-1-yl)-9-oxoacridin-10-yl]acetic acid;2-(3,4-dichloro-6-cyclohexyl-9-oxoacridin-10-yl)acetic acid;2-[3,4-dichloro-6-(cyclopenten-1-yl)-9-oxoacridin-10-yl]acetic acid;2-[3,4-dichloro-6-(cyclopentylamino)-9-oxoacridin-10-yl]acetic acid;2-(3,4-dichloro-6-cyclopentyl-9-oxoacridin-10-yl)acetic acid has a molecular weight of 2381.62 g/mol, XLogP of 30.83, 20 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,4-dichloro-6-(cyclobutylamino)-9-oxoacridin-10-yl]acetic acid;2-[3,4-dichloro-6-(cyclohexen-1-yl)-9-oxoacridin-10-yl]acetic acid;2-(3,4-dichloro-6-cyclohexyl-9-oxoacridin-10-yl)acetic acid;2-[3,4-dichloro-6-(cyclopenten-1-yl)-9-oxoacridin-10-yl]acetic acid;2-[3,4-dichloro-6-(cyclopentylamino)-9-oxoacridin-10-yl]acetic acid;2-(3,4-dichloro-6-cyclopentyl-9-oxoacridin-10-yl)acetic acid is sourced from PubChem (CID 167585440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).