5-(3-chlorophenyl)imino-N,N-diethylbenzo[a]phenoxazin-9-amine

C26H22ClN3O — CID 56672030

IUPAC5-(3-chlorophenyl)imino-N,N-diethylbenzo[a]phenoxazin-9-amine
SMILESCCN(CC)c1ccc2nc3c4ccccc4/c(=N/c4cccc(Cl)c4)cc-3oc2c1
InChIInChI=1S/C26H22ClN3O/c1-3-30(4-2)19-12-13-22-24(15-19)31-25-16-23(28-18-9-7-8-17(27)14-18)20-10-5-6-11-21(20)26(25)29-22/h5-16H,3-4H2,1-2H3/b28-23+
InChIKeyWUUFQFAILWMLIC-WEMUOSSPSA-N
MW427.94 g/mol
LogP6.82
Rot. Bonds4

About 5-(3-chlorophenyl)imino-N,N-diethylbenzo[a]phenoxazin-9-amine

5-(3-chlorophenyl)imino-N,N-diethylbenzo[a]phenoxazin-9-amine (PubChem CID 56672030) has the molecular formula C26H22ClN3O and a molecular weight of 427.94 g/mol. Its IUPAC name is 5-(3-chlorophenyl)imino-N,N-diethylbenzo[a]phenoxazin-9-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)imino-N,N-diethylbenzo[a]phenoxazin-9-amine
PubChem CID56672030
Molecular FormulaC26H22ClN3O
Molecular Weight427.94 g/mol
Exact Mass427.15
IUPAC Name5-(3-chlorophenyl)imino-N,N-diethylbenzo[a]phenoxazin-9-amine
SMILESCCN(CC)c1ccc2nc3c4ccccc4/c(=N/c4cccc(Cl)c4)cc-3oc2c1
InChIInChI=1S/C26H22ClN3O/c1-3-30(4-2)19-12-13-22-24(15-19)31-25-16-23(28-18-9-7-8-17(27)14-18)20-10-5-6-11-21(20)26(25)29-22/h5-16H,3-4H2,1-2H3/b28-23+
InChIKeyWUUFQFAILWMLIC-WEMUOSSPSA-N
XLogP6.82
TPSA41.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.94
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-(3-chlorophenyl)imino-N,N-diethylbenzo[a]phenoxazin-9-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5Z)-N,N-diethyl-5-phenylimino-benzo[a]phenoxazin-9-amine
CID 5351537
(5Z)-N,N-diethyl-5-(p-tolylimino)benzo[a]phenoxazin-9-amine
CID 54583642
[9-(Diethylamino)benzo[a]phenoxazin-5-ylidene]-diethylazanium acetate
CID 45489190
(5Z)-N,N-diethyl-5-(4-methoxyphenyl)imino-benzo[a]phenoxazin-9-amine
CID 53484168
(5Z)-N,N-diethyl-5-(3-methoxyphenyl)imino-benzo[a]phenoxazin-9-amine
CID 53484169
N,N-diethyl-5-phenyliminobenzo[a]phenoxazin-9-amine;hydrochloride
CID 54580677
N,N-diethyl-5-(4-methylphenyl)iminobenzo[a]phenoxazin-9-amine;hydrochloride
CID 54583641
(5Z)-5-(2-chlorophenyl)imino-N,N-diethyl-benzo[a]phenoxazin-9-amine
CID 56661665
(5Z)-N,N-diethyl-5-(4-nitrophenyl)imino-benzo[a]phenoxazin-9-amine
CID 56678758
5-(3-chloropropylimino)-N-ethyl-10-methylbenzo[a]phenoxazin-9-amine;hydrochloride
CID 49797414
(5Z)-5-(2-chloro-4-nitro-phenyl)imino-N,N-diethyl-benzo[a]phenoxazin-9-amine
CID 56672031
N,N-diethyl-5-ethyliminobenzo[a]phenoxazin-9-amine;hydrochloride
CID 49797172

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)imino-N,N-diethylbenzo[a]phenoxazin-9-amine?
The IUPAC name of 5-(3-chlorophenyl)imino-N,N-diethylbenzo[a]phenoxazin-9-amine (CID 56672030) is 5-(3-chlorophenyl)imino-N,N-diethylbenzo[a]phenoxazin-9-amine.
What is the SMILES notation for 5-(3-chlorophenyl)imino-N,N-diethylbenzo[a]phenoxazin-9-amine?
The canonical SMILES for 5-(3-chlorophenyl)imino-N,N-diethylbenzo[a]phenoxazin-9-amine is CCN(CC)c1ccc2nc3c4ccccc4/c(=N/c4cccc(Cl)c4)cc-3oc2c1.
What is the InChIKey of 5-(3-chlorophenyl)imino-N,N-diethylbenzo[a]phenoxazin-9-amine?
The InChIKey is WUUFQFAILWMLIC-WEMUOSSPSA-N. The full InChI is InChI=1S/C26H22ClN3O/c1-3-30(4-2)19-12-13-22-24(15-19)31-25-16-23(28-18-9-7-8-17(27)14-18)20-10-5-6-11-21(20)26(25)29-22/h5-16H,3-4H2,1-2H3/b28-23+.
What are the key properties of 5-(3-chlorophenyl)imino-N,N-diethylbenzo[a]phenoxazin-9-amine?
5-(3-chlorophenyl)imino-N,N-diethylbenzo[a]phenoxazin-9-amine has a molecular weight of 427.94 g/mol, XLogP of 6.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)imino-N,N-diethylbenzo[a]phenoxazin-9-amine is sourced from PubChem (CID 56672030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).