9-amino-6-chloro-3,3-dimethyl-2,4-dihydro-1H-acridin-1-ol;(Z)-but-2-enedioic acid

C19H21ClN2O5 — CID 70348235

About 9-amino-6-chloro-3,3-dimethyl-2,4-dihydro-1H-acridin-1-ol;(Z)-but-2-enedioic acid

9-amino-6-chloro-3,3-dimethyl-2,4-dihydro-1H-acridin-1-ol;(Z)-but-2-enedioic acid (PubChem CID 70348235) has the molecular formula C19H21ClN2O5 and a molecular weight of 392.84 g/mol. Its IUPAC name is 9-amino-6-chloro-3,3-dimethyl-2,4-dihydro-1H-acridin-1-ol;(Z)-but-2-enedioic acid.

Molecular Properties

• Compound Name: 9-amino-6-chloro-3,3-dimethyl-2,4-dihydro-1H-acridin-1-ol;(Z)-but-2-enedioic acid
• PubChem CID: 70348235
• Molecular Formula: C19H21ClN2O5
• Molecular Weight: 392.84 g/mol
• Exact Mass: 392.11
• IUPAC Name: 9-amino-6-chloro-3,3-dimethyl-2,4-dihydro-1H-acridin-1-ol;(Z)-but-2-enedioic acid
• SMILES: CC1(C)Cc2nc3cc(Cl)ccc3c(N)c2C(O)C1.O=C(O)/C=C\C(=O)O
• InChI: InChI=1S/C15H17ClN2O.C4H4O4/c1-15(2)6-11-13(12(19)7-15)14(17)9-4-3-8(16)5-10(9)18-11;5-3(6)1-2-4(7)8/h3-5,12,19H,6-7H2,1-2H3,(H2,17,18);1-2H,(H,5,6)(H,7,8)/b;2-1-
• InChIKey: LUBPJSVDWJVDRB-BTJKTKAUSA-N
• XLogP: 3.19
• TPSA: 133.74 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.84
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-amino-6-chloro-3,3-dimethyl-2,4-dihydro-1H-acridin-1-ol;(Z)-but-2-enedioic acid?

The IUPAC name of 9-amino-6-chloro-3,3-dimethyl-2,4-dihydro-1H-acridin-1-ol;(Z)-but-2-enedioic acid (CID 70348235) is 9-amino-6-chloro-3,3-dimethyl-2,4-dihydro-1H-acridin-1-ol;(Z)-but-2-enedioic acid.

What is the SMILES notation for 9-amino-6-chloro-3,3-dimethyl-2,4-dihydro-1H-acridin-1-ol;(Z)-but-2-enedioic acid?

The canonical SMILES for 9-amino-6-chloro-3,3-dimethyl-2,4-dihydro-1H-acridin-1-ol;(Z)-but-2-enedioic acid is CC1(C)Cc2nc3cc(Cl)ccc3c(N)c2C(O)C1.O=C(O)/C=C\C(=O)O.

What is the InChIKey of 9-amino-6-chloro-3,3-dimethyl-2,4-dihydro-1H-acridin-1-ol;(Z)-but-2-enedioic acid?

The InChIKey is LUBPJSVDWJVDRB-BTJKTKAUSA-N. The full InChI is InChI=1S/C15H17ClN2O.C4H4O4/c1-15(2)6-11-13(12(19)7-15)14(17)9-4-3-8(16)5-10(9)18-11;5-3(6)1-2-4(7)8/h3-5,12,19H,6-7H2,1-2H3,(H2,17,18);1-2H,(H,5,6)(H,7,8)/b;2-1-.

What are the key properties of 9-amino-6-chloro-3,3-dimethyl-2,4-dihydro-1H-acridin-1-ol;(Z)-but-2-enedioic acid?

9-amino-6-chloro-3,3-dimethyl-2,4-dihydro-1H-acridin-1-ol;(Z)-but-2-enedioic acid has a molecular weight of 392.84 g/mol, XLogP of 3.19, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-amino-6-chloro-3,3-dimethyl-2,4-dihydro-1H-acridin-1-ol;(Z)-but-2-enedioic acid is sourced from PubChem (CID 70348235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).