1-heptylphenazine;hydrochloride

C19H23ClN2 — CID 175352325

IUPAC1-heptylphenazine;hydrochloride
SMILESCCCCCCCc1cccc2nc3ccccc3nc12.Cl
InChIInChI=1S/C19H22N2.ClH/c1-2-3-4-5-6-10-15-11-9-14-18-19(15)21-17-13-8-7-12-16(17)20-18;/h7-9,11-14H,2-6,10H2,1H3;1H
InChIKeyBMOFKNWLVGVSRG-UHFFFAOYSA-N
MW314.86 g/mol
LogP5.72
Rot. Bonds6

About 1-heptylphenazine;hydrochloride

1-heptylphenazine;hydrochloride (PubChem CID 175352325) has the molecular formula C19H23ClN2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 1-heptylphenazine;hydrochloride.

Molecular Properties

Compound Name1-heptylphenazine;hydrochloride
PubChem CID175352325
Molecular FormulaC19H23ClN2
Molecular Weight314.86 g/mol
Exact Mass314.15
IUPAC Name1-heptylphenazine;hydrochloride
SMILESCCCCCCCc1cccc2nc3ccccc3nc12.Cl
InChIInChI=1S/C19H22N2.ClH/c1-2-3-4-5-6-10-15-11-9-14-18-19(15)21-17-13-8-7-12-16(17)20-18;/h7-9,11-14H,2-6,10H2,1H3;1H
InChIKeyBMOFKNWLVGVSRG-UHFFFAOYSA-N
XLogP5.72
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.86
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-heptylphenazine;hydrochloride 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

N-ethyl-3-phenazin-1-ylpropan-1-amine
CID 97034004
1-hexadecylacridine;hydrochloride
CID 172754650
1-octadecylacridine
CID 87175858
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
1,2-dihexylbenzene;hydrate
CID 172833093
1-tetradecylnaphthalene
CID 14402128
barium(2+);bis(2-decylphenolate)
CID 101292606
4-hexyl-1,3-benzoxazole
CID 91584935

Frequently Asked Questions

What is the IUPAC name of 1-heptylphenazine;hydrochloride?
The IUPAC name of 1-heptylphenazine;hydrochloride (CID 175352325) is 1-heptylphenazine;hydrochloride.
What is the SMILES notation for 1-heptylphenazine;hydrochloride?
The canonical SMILES for 1-heptylphenazine;hydrochloride is CCCCCCCc1cccc2nc3ccccc3nc12.Cl.
What is the InChIKey of 1-heptylphenazine;hydrochloride?
The InChIKey is BMOFKNWLVGVSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2.ClH/c1-2-3-4-5-6-10-15-11-9-14-18-19(15)21-17-13-8-7-12-16(17)20-18;/h7-9,11-14H,2-6,10H2,1H3;1H.
What are the key properties of 1-heptylphenazine;hydrochloride?
1-heptylphenazine;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 5.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptylphenazine;hydrochloride is sourced from PubChem (CID 175352325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).