(1Z)-7-chloro-3-(2,4-dichlorophenyl)-10-hydroxy-1-pyrrolidin-1-ylimino-3,4-dihydro-2H-acridin-9-one

C23H20Cl3N3O2 — CID 5366132

IUPAC(1Z)-7-chloro-3-(2,4-dichlorophenyl)-10-hydroxy-1-pyrrolidin-1-ylimino-3,4-dihydro-2H-acridin-9-one
SMILESO=c1c2c(n(O)c3ccc(Cl)cc13)CC(c1ccc(Cl)cc1Cl)C/C2=N/N1CCCC1
InChIInChI=1S/C23H20Cl3N3O2/c24-14-4-6-20-17(11-14)23(30)22-19(27-28-7-1-2-8-28)9-13(10-21(22)29(20)31)16-5-3-15(25)12-18(16)26/h3-6,11-13,31H,1-2,7-10H2/b27-19-
InChIKeyTUASPQXZCMIMNU-DIBXZPPDSA-N
MW476.79 g/mol
LogP5.73
Rot. Bonds2

About (1Z)-7-chloro-3-(2,4-dichlorophenyl)-10-hydroxy-1-pyrrolidin-1-ylimino-3,4-dihydro-2H-acridin-9-one

(1Z)-7-chloro-3-(2,4-dichlorophenyl)-10-hydroxy-1-pyrrolidin-1-ylimino-3,4-dihydro-2H-acridin-9-one (PubChem CID 5366132) has the molecular formula C23H20Cl3N3O2 and a molecular weight of 476.79 g/mol. Its IUPAC name is (1Z)-7-chloro-3-(2,4-dichlorophenyl)-10-hydroxy-1-pyrrolidin-1-ylimino-3,4-dihydro-2H-acridin-9-one.

Molecular Properties

Compound Name(1Z)-7-chloro-3-(2,4-dichlorophenyl)-10-hydroxy-1-pyrrolidin-1-ylimino-3,4-dihydro-2H-acridin-9-one
PubChem CID5366132
Molecular FormulaC23H20Cl3N3O2
Molecular Weight476.79 g/mol
Exact Mass475.06
IUPAC Name(1Z)-7-chloro-3-(2,4-dichlorophenyl)-10-hydroxy-1-pyrrolidin-1-ylimino-3,4-dihydro-2H-acridin-9-one
SMILESO=c1c2c(n(O)c3ccc(Cl)cc13)CC(c1ccc(Cl)cc1Cl)C/C2=N/N1CCCC1
InChIInChI=1S/C23H20Cl3N3O2/c24-14-4-6-20-17(11-14)23(30)22-19(27-28-7-1-2-8-28)9-13(10-21(22)29(20)31)16-5-3-15(25)12-18(16)26/h3-6,11-13,31H,1-2,7-10H2/b27-19-
InChIKeyTUASPQXZCMIMNU-DIBXZPPDSA-N
XLogP5.73
TPSA57.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.79
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z)-7-chloro-3-(2,4-dichlorophenyl)-10-hydroxy-1-pyrrolidin-1-ylimino-3,4-dihydro-2H-acridin-9-one?
The IUPAC name of (1Z)-7-chloro-3-(2,4-dichlorophenyl)-10-hydroxy-1-pyrrolidin-1-ylimino-3,4-dihydro-2H-acridin-9-one (CID 5366132) is (1Z)-7-chloro-3-(2,4-dichlorophenyl)-10-hydroxy-1-pyrrolidin-1-ylimino-3,4-dihydro-2H-acridin-9-one.
What is the SMILES notation for (1Z)-7-chloro-3-(2,4-dichlorophenyl)-10-hydroxy-1-pyrrolidin-1-ylimino-3,4-dihydro-2H-acridin-9-one?
The canonical SMILES for (1Z)-7-chloro-3-(2,4-dichlorophenyl)-10-hydroxy-1-pyrrolidin-1-ylimino-3,4-dihydro-2H-acridin-9-one is O=c1c2c(n(O)c3ccc(Cl)cc13)CC(c1ccc(Cl)cc1Cl)C/C2=N/N1CCCC1.
What is the InChIKey of (1Z)-7-chloro-3-(2,4-dichlorophenyl)-10-hydroxy-1-pyrrolidin-1-ylimino-3,4-dihydro-2H-acridin-9-one?
The InChIKey is TUASPQXZCMIMNU-DIBXZPPDSA-N. The full InChI is InChI=1S/C23H20Cl3N3O2/c24-14-4-6-20-17(11-14)23(30)22-19(27-28-7-1-2-8-28)9-13(10-21(22)29(20)31)16-5-3-15(25)12-18(16)26/h3-6,11-13,31H,1-2,7-10H2/b27-19-.
What are the key properties of (1Z)-7-chloro-3-(2,4-dichlorophenyl)-10-hydroxy-1-pyrrolidin-1-ylimino-3,4-dihydro-2H-acridin-9-one?
(1Z)-7-chloro-3-(2,4-dichlorophenyl)-10-hydroxy-1-pyrrolidin-1-ylimino-3,4-dihydro-2H-acridin-9-one has a molecular weight of 476.79 g/mol, XLogP of 5.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-7-chloro-3-(2,4-dichlorophenyl)-10-hydroxy-1-pyrrolidin-1-ylimino-3,4-dihydro-2H-acridin-9-one is sourced from PubChem (CID 5366132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).