N-(4-methoxyphenyl)benzo[g]quinolin-4-amine;hydrochloride

C20H17ClN2O — CID 2920780

IUPACN-(4-methoxyphenyl)benzo[g]quinolin-4-amine;hydrochloride
SMILESCOc1ccc(Nc2ccnc3cc4ccccc4cc23)cc1.Cl
InChIInChI=1S/C20H16N2O.ClH/c1-23-17-8-6-16(7-9-17)22-19-10-11-21-20-13-15-5-3-2-4-14(15)12-18(19)20;/h2-13H,1H3,(H,21,22);1H
InChIKeyXWZOIYHJFCUCJZ-UHFFFAOYSA-N
MW336.82 g/mol
LogP5.56
Rot. Bonds3

About N-(4-methoxyphenyl)benzo[g]quinolin-4-amine;hydrochloride

N-(4-methoxyphenyl)benzo[g]quinolin-4-amine;hydrochloride (PubChem CID 2920780) has the molecular formula C20H17ClN2O and a molecular weight of 336.82 g/mol. Its IUPAC name is N-(4-methoxyphenyl)benzo[g]quinolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(4-methoxyphenyl)benzo[g]quinolin-4-amine;hydrochloride
PubChem CID2920780
Molecular FormulaC20H17ClN2O
Molecular Weight336.82 g/mol
Exact Mass336.10
IUPAC NameN-(4-methoxyphenyl)benzo[g]quinolin-4-amine;hydrochloride
SMILESCOc1ccc(Nc2ccnc3cc4ccccc4cc23)cc1.Cl
InChIInChI=1S/C20H16N2O.ClH/c1-23-17-8-6-16(7-9-17)22-19-10-11-21-20-13-15-5-3-2-4-14(15)12-18(19)20;/h2-13H,1H3,(H,21,22);1H
InChIKeyXWZOIYHJFCUCJZ-UHFFFAOYSA-N
XLogP5.56
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.82
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-methoxyphenyl)benzo[g]quinolin-4-amine;hydrochloride?
The IUPAC name of N-(4-methoxyphenyl)benzo[g]quinolin-4-amine;hydrochloride (CID 2920780) is N-(4-methoxyphenyl)benzo[g]quinolin-4-amine;hydrochloride.
What is the SMILES notation for N-(4-methoxyphenyl)benzo[g]quinolin-4-amine;hydrochloride?
The canonical SMILES for N-(4-methoxyphenyl)benzo[g]quinolin-4-amine;hydrochloride is COc1ccc(Nc2ccnc3cc4ccccc4cc23)cc1.Cl.
What is the InChIKey of N-(4-methoxyphenyl)benzo[g]quinolin-4-amine;hydrochloride?
The InChIKey is XWZOIYHJFCUCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O.ClH/c1-23-17-8-6-16(7-9-17)22-19-10-11-21-20-13-15-5-3-2-4-14(15)12-18(19)20;/h2-13H,1H3,(H,21,22);1H.
What are the key properties of N-(4-methoxyphenyl)benzo[g]quinolin-4-amine;hydrochloride?
N-(4-methoxyphenyl)benzo[g]quinolin-4-amine;hydrochloride has a molecular weight of 336.82 g/mol, XLogP of 5.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)benzo[g]quinolin-4-amine;hydrochloride is sourced from PubChem (CID 2920780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).