1-(4-methylphenyl)-2H-benzo[a]quinolizin-2-amine;dihydrochloride

C20H20Cl2N2 — CID 70550287

IUPAC1-(4-methylphenyl)-2H-benzo[a]quinolizin-2-amine;dihydrochloride
SMILESCc1ccc(C2=C3c4ccccc4C=CN3C=CC2N)cc1.Cl.Cl
InChIInChI=1S/C20H18N2.2ClH/c1-14-6-8-16(9-7-14)19-18(21)11-13-22-12-10-15-4-2-3-5-17(15)20(19)22;;/h2-13,18H,21H2,1H3;2*1H
InChIKeyAXTJZYLNKOEXMD-UHFFFAOYSA-N
MW359.30 g/mol
LogP4.85
Rot. Bonds1

About 1-(4-methylphenyl)-2H-benzo[a]quinolizin-2-amine;dihydrochloride

1-(4-methylphenyl)-2H-benzo[a]quinolizin-2-amine;dihydrochloride (PubChem CID 70550287) has the molecular formula C20H20Cl2N2 and a molecular weight of 359.30 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2H-benzo[a]quinolizin-2-amine;dihydrochloride.

Molecular Properties

Compound Name1-(4-methylphenyl)-2H-benzo[a]quinolizin-2-amine;dihydrochloride
PubChem CID70550287
Molecular FormulaC20H20Cl2N2
Molecular Weight359.30 g/mol
Exact Mass358.10
IUPAC Name1-(4-methylphenyl)-2H-benzo[a]quinolizin-2-amine;dihydrochloride
SMILESCc1ccc(C2=C3c4ccccc4C=CN3C=CC2N)cc1.Cl.Cl
InChIInChI=1S/C20H18N2.2ClH/c1-14-6-8-16(9-7-14)19-18(21)11-13-22-12-10-15-4-2-3-5-17(15)20(19)22;;/h2-13,18H,21H2,1H3;2*1H
InChIKeyAXTJZYLNKOEXMD-UHFFFAOYSA-N
XLogP4.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2H-benzo[a]quinolizin-2-amine;dihydrochloride?
The IUPAC name of 1-(4-methylphenyl)-2H-benzo[a]quinolizin-2-amine;dihydrochloride (CID 70550287) is 1-(4-methylphenyl)-2H-benzo[a]quinolizin-2-amine;dihydrochloride.
What is the SMILES notation for 1-(4-methylphenyl)-2H-benzo[a]quinolizin-2-amine;dihydrochloride?
The canonical SMILES for 1-(4-methylphenyl)-2H-benzo[a]quinolizin-2-amine;dihydrochloride is Cc1ccc(C2=C3c4ccccc4C=CN3C=CC2N)cc1.Cl.Cl.
What is the InChIKey of 1-(4-methylphenyl)-2H-benzo[a]quinolizin-2-amine;dihydrochloride?
The InChIKey is AXTJZYLNKOEXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2.2ClH/c1-14-6-8-16(9-7-14)19-18(21)11-13-22-12-10-15-4-2-3-5-17(15)20(19)22;;/h2-13,18H,21H2,1H3;2*1H.
What are the key properties of 1-(4-methylphenyl)-2H-benzo[a]quinolizin-2-amine;dihydrochloride?
1-(4-methylphenyl)-2H-benzo[a]quinolizin-2-amine;dihydrochloride has a molecular weight of 359.30 g/mol, XLogP of 4.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2H-benzo[a]quinolizin-2-amine;dihydrochloride is sourced from PubChem (CID 70550287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).