N,N-diethyl-8-imino-10-phenylphenazin-2-amine;hydrochloride

C22H23ClN4 — CID 131675145

IUPACN,N-diethyl-8-imino-10-phenylphenazin-2-amine;hydrochloride
SMILESCl.[H]/N=c1\ccc2nc3ccc(N(CC)CC)cc3n(-c3ccccc3)c-2c1
InChIInChI=1S/C22H22N4.ClH/c1-3-25(4-2)18-11-13-20-22(15-18)26(17-8-6-5-7-9-17)21-14-16(23)10-12-19(21)24-20;/h5-15,23H,3-4H2,1-2H3;1H/b23-16+;
InChIKeyMOVNSGGBTSIUGX-BVXBIMGVSA-N
MW378.91 g/mol
LogP4.88
Rot. Bonds4

About N,N-diethyl-8-imino-10-phenylphenazin-2-amine;hydrochloride

N,N-diethyl-8-imino-10-phenylphenazin-2-amine;hydrochloride (PubChem CID 131675145) has the molecular formula C22H23ClN4 and a molecular weight of 378.91 g/mol. Its IUPAC name is N,N-diethyl-8-imino-10-phenylphenazin-2-amine;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-8-imino-10-phenylphenazin-2-amine;hydrochloride
PubChem CID131675145
Molecular FormulaC22H23ClN4
Molecular Weight378.91 g/mol
Exact Mass378.16
IUPAC NameN,N-diethyl-8-imino-10-phenylphenazin-2-amine;hydrochloride
SMILESCl.[H]/N=c1\ccc2nc3ccc(N(CC)CC)cc3n(-c3ccccc3)c-2c1
InChIInChI=1S/C22H22N4.ClH/c1-3-25(4-2)18-11-13-20-22(15-18)26(17-8-6-5-7-9-17)21-14-16(23)10-12-19(21)24-20;/h5-15,23H,3-4H2,1-2H3;1H/b23-16+;
InChIKeyMOVNSGGBTSIUGX-BVXBIMGVSA-N
XLogP4.88
TPSA44.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.91
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-8-imino-10-phenylphenazin-2-amine;hydrochloride?
The IUPAC name of N,N-diethyl-8-imino-10-phenylphenazin-2-amine;hydrochloride (CID 131675145) is N,N-diethyl-8-imino-10-phenylphenazin-2-amine;hydrochloride.
What is the SMILES notation for N,N-diethyl-8-imino-10-phenylphenazin-2-amine;hydrochloride?
The canonical SMILES for N,N-diethyl-8-imino-10-phenylphenazin-2-amine;hydrochloride is Cl.[H]/N=c1\ccc2nc3ccc(N(CC)CC)cc3n(-c3ccccc3)c-2c1.
What is the InChIKey of N,N-diethyl-8-imino-10-phenylphenazin-2-amine;hydrochloride?
The InChIKey is MOVNSGGBTSIUGX-BVXBIMGVSA-N. The full InChI is InChI=1S/C22H22N4.ClH/c1-3-25(4-2)18-11-13-20-22(15-18)26(17-8-6-5-7-9-17)21-14-16(23)10-12-19(21)24-20;/h5-15,23H,3-4H2,1-2H3;1H/b23-16+;.
What are the key properties of N,N-diethyl-8-imino-10-phenylphenazin-2-amine;hydrochloride?
N,N-diethyl-8-imino-10-phenylphenazin-2-amine;hydrochloride has a molecular weight of 378.91 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-8-imino-10-phenylphenazin-2-amine;hydrochloride is sourced from PubChem (CID 131675145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).