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

C20H19ClN4 — CID 138398712

IUPAC8-imino-N,N-dimethyl-10-phenylphenazin-2-amine;hydrochloride
SMILESCl.[H]/N=c1\ccc2nc3ccc(N(C)C)cc3n(-c3ccccc3)c-2c1
InChIInChI=1S/C20H18N4.ClH/c1-23(2)16-9-11-18-20(13-16)24(15-6-4-3-5-7-15)19-12-14(21)8-10-17(19)22-18;/h3-13,21H,1-2H3;1H/b21-14+;
InChIKeySQHWUYVHKRVCMD-UNLLECTCSA-N
MW350.85 g/mol
LogP4.10
Rot. Bonds2

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

8-imino-N,N-dimethyl-10-phenylphenazin-2-amine;hydrochloride (PubChem CID 138398712) has the molecular formula C20H19ClN4 and a molecular weight of 350.85 g/mol. Its IUPAC name is 8-imino-N,N-dimethyl-10-phenylphenazin-2-amine;hydrochloride.

Molecular Properties

Compound Name8-imino-N,N-dimethyl-10-phenylphenazin-2-amine;hydrochloride
PubChem CID138398712
Molecular FormulaC20H19ClN4
Molecular Weight350.85 g/mol
Exact Mass350.13
IUPAC Name8-imino-N,N-dimethyl-10-phenylphenazin-2-amine;hydrochloride
SMILESCl.[H]/N=c1\ccc2nc3ccc(N(C)C)cc3n(-c3ccccc3)c-2c1
InChIInChI=1S/C20H18N4.ClH/c1-23(2)16-9-11-18-20(13-16)24(15-6-4-3-5-7-15)19-12-14(21)8-10-17(19)22-18;/h3-13,21H,1-2H3;1H/b21-14+;
InChIKeySQHWUYVHKRVCMD-UNLLECTCSA-N
XLogP4.10
TPSA44.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 54.10
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 8-imino-N,N-dimethyl-10-phenylphenazin-2-amine;hydrochloride?
The IUPAC name of 8-imino-N,N-dimethyl-10-phenylphenazin-2-amine;hydrochloride (CID 138398712) is 8-imino-N,N-dimethyl-10-phenylphenazin-2-amine;hydrochloride.
What is the SMILES notation for 8-imino-N,N-dimethyl-10-phenylphenazin-2-amine;hydrochloride?
The canonical SMILES for 8-imino-N,N-dimethyl-10-phenylphenazin-2-amine;hydrochloride is Cl.[H]/N=c1\ccc2nc3ccc(N(C)C)cc3n(-c3ccccc3)c-2c1.
What is the InChIKey of 8-imino-N,N-dimethyl-10-phenylphenazin-2-amine;hydrochloride?
The InChIKey is SQHWUYVHKRVCMD-UNLLECTCSA-N. The full InChI is InChI=1S/C20H18N4.ClH/c1-23(2)16-9-11-18-20(13-16)24(15-6-4-3-5-7-15)19-12-14(21)8-10-17(19)22-18;/h3-13,21H,1-2H3;1H/b21-14+;.
What are the key properties of 8-imino-N,N-dimethyl-10-phenylphenazin-2-amine;hydrochloride?
8-imino-N,N-dimethyl-10-phenylphenazin-2-amine;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-imino-N,N-dimethyl-10-phenylphenazin-2-amine;hydrochloride is sourced from PubChem (CID 138398712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).