N-[9-(4-chlorophenyl)-8-hydroxyimino-3,3,6,6-tetramethyl-2,4,5,7-tetrahydroacridin-1-ylidene]hydroxylamine

C23H26ClN3O2 — CID 78614567

IUPACN-[9-(4-chlorophenyl)-8-hydroxyimino-3,3,6,6-tetramethyl-2,4,5,7-tetrahydroacridin-1-ylidene]hydroxylamine
SMILESCC1(C)CC(=NO)c2c(nc3c(c2-c2ccc(Cl)cc2)C(=NO)CC(C)(C)C3)C1
InChIInChI=1S/C23H26ClN3O2/c1-22(2)9-15-20(17(11-22)26-28)19(13-5-7-14(24)8-6-13)21-16(25-15)10-23(3,4)12-18(21)27-29/h5-8,28-29H,9-12H2,1-4H3
InChIKeyFMWFLKPXEUHSBO-UHFFFAOYSA-N
MW411.93 g/mol
LogP5.70
Rot. Bonds1

About N-[9-(4-chlorophenyl)-8-hydroxyimino-3,3,6,6-tetramethyl-2,4,5,7-tetrahydroacridin-1-ylidene]hydroxylamine

N-[9-(4-chlorophenyl)-8-hydroxyimino-3,3,6,6-tetramethyl-2,4,5,7-tetrahydroacridin-1-ylidene]hydroxylamine (PubChem CID 78614567) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is N-[9-(4-chlorophenyl)-8-hydroxyimino-3,3,6,6-tetramethyl-2,4,5,7-tetrahydroacridin-1-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[9-(4-chlorophenyl)-8-hydroxyimino-3,3,6,6-tetramethyl-2,4,5,7-tetrahydroacridin-1-ylidene]hydroxylamine
PubChem CID78614567
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC NameN-[9-(4-chlorophenyl)-8-hydroxyimino-3,3,6,6-tetramethyl-2,4,5,7-tetrahydroacridin-1-ylidene]hydroxylamine
SMILESCC1(C)CC(=NO)c2c(nc3c(c2-c2ccc(Cl)cc2)C(=NO)CC(C)(C)C3)C1
InChIInChI=1S/C23H26ClN3O2/c1-22(2)9-15-20(17(11-22)26-28)19(13-5-7-14(24)8-6-13)21-16(25-15)10-23(3,4)12-18(21)27-29/h5-8,28-29H,9-12H2,1-4H3
InChIKeyFMWFLKPXEUHSBO-UHFFFAOYSA-N
XLogP5.70
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.93
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[9-(4-chlorophenyl)-8-hydroxyimino-3,3,6,6-tetramethyl-2,4,5,7-tetrahydroacridin-1-ylidene]hydroxylamine?
The IUPAC name of N-[9-(4-chlorophenyl)-8-hydroxyimino-3,3,6,6-tetramethyl-2,4,5,7-tetrahydroacridin-1-ylidene]hydroxylamine (CID 78614567) is N-[9-(4-chlorophenyl)-8-hydroxyimino-3,3,6,6-tetramethyl-2,4,5,7-tetrahydroacridin-1-ylidene]hydroxylamine.
What is the SMILES notation for N-[9-(4-chlorophenyl)-8-hydroxyimino-3,3,6,6-tetramethyl-2,4,5,7-tetrahydroacridin-1-ylidene]hydroxylamine?
The canonical SMILES for N-[9-(4-chlorophenyl)-8-hydroxyimino-3,3,6,6-tetramethyl-2,4,5,7-tetrahydroacridin-1-ylidene]hydroxylamine is CC1(C)CC(=NO)c2c(nc3c(c2-c2ccc(Cl)cc2)C(=NO)CC(C)(C)C3)C1.
What is the InChIKey of N-[9-(4-chlorophenyl)-8-hydroxyimino-3,3,6,6-tetramethyl-2,4,5,7-tetrahydroacridin-1-ylidene]hydroxylamine?
The InChIKey is FMWFLKPXEUHSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O2/c1-22(2)9-15-20(17(11-22)26-28)19(13-5-7-14(24)8-6-13)21-16(25-15)10-23(3,4)12-18(21)27-29/h5-8,28-29H,9-12H2,1-4H3.
What are the key properties of N-[9-(4-chlorophenyl)-8-hydroxyimino-3,3,6,6-tetramethyl-2,4,5,7-tetrahydroacridin-1-ylidene]hydroxylamine?
N-[9-(4-chlorophenyl)-8-hydroxyimino-3,3,6,6-tetramethyl-2,4,5,7-tetrahydroacridin-1-ylidene]hydroxylamine has a molecular weight of 411.93 g/mol, XLogP of 5.70, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-(4-chlorophenyl)-8-hydroxyimino-3,3,6,6-tetramethyl-2,4,5,7-tetrahydroacridin-1-ylidene]hydroxylamine is sourced from PubChem (CID 78614567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).