N-(4-chlorophenyl)-2-methylbenzo[h]quinolin-4-amine;hydrochloride

C20H16Cl2N2 — CID 52997922

IUPACN-(4-chlorophenyl)-2-methylbenzo[h]quinolin-4-amine;hydrochloride
SMILESCc1cc(Nc2ccc(Cl)cc2)c2ccc3ccccc3c2n1.Cl
InChIInChI=1S/C20H15ClN2.ClH/c1-13-12-19(23-16-9-7-15(21)8-10-16)18-11-6-14-4-2-3-5-17(14)20(18)22-13;/h2-12H,1H3,(H,22,23);1H
InChIKeyIWRULVMUQFCPID-UHFFFAOYSA-N
MW355.27 g/mol
LogP6.52
Rot. Bonds2

About N-(4-chlorophenyl)-2-methylbenzo[h]quinolin-4-amine;hydrochloride

N-(4-chlorophenyl)-2-methylbenzo[h]quinolin-4-amine;hydrochloride (PubChem CID 52997922) has the molecular formula C20H16Cl2N2 and a molecular weight of 355.27 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-methylbenzo[h]quinolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-methylbenzo[h]quinolin-4-amine;hydrochloride
PubChem CID52997922
Molecular FormulaC20H16Cl2N2
Molecular Weight355.27 g/mol
Exact Mass354.07
IUPAC NameN-(4-chlorophenyl)-2-methylbenzo[h]quinolin-4-amine;hydrochloride
SMILESCc1cc(Nc2ccc(Cl)cc2)c2ccc3ccccc3c2n1.Cl
InChIInChI=1S/C20H15ClN2.ClH/c1-13-12-19(23-16-9-7-15(21)8-10-16)18-11-6-14-4-2-3-5-17(14)20(18)22-13;/h2-12H,1H3,(H,22,23);1H
InChIKeyIWRULVMUQFCPID-UHFFFAOYSA-N
XLogP6.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.27
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-methylbenzo[h]quinolin-4-amine;hydrochloride?
The IUPAC name of N-(4-chlorophenyl)-2-methylbenzo[h]quinolin-4-amine;hydrochloride (CID 52997922) is N-(4-chlorophenyl)-2-methylbenzo[h]quinolin-4-amine;hydrochloride.
What is the SMILES notation for N-(4-chlorophenyl)-2-methylbenzo[h]quinolin-4-amine;hydrochloride?
The canonical SMILES for N-(4-chlorophenyl)-2-methylbenzo[h]quinolin-4-amine;hydrochloride is Cc1cc(Nc2ccc(Cl)cc2)c2ccc3ccccc3c2n1.Cl.
What is the InChIKey of N-(4-chlorophenyl)-2-methylbenzo[h]quinolin-4-amine;hydrochloride?
The InChIKey is IWRULVMUQFCPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2.ClH/c1-13-12-19(23-16-9-7-15(21)8-10-16)18-11-6-14-4-2-3-5-17(14)20(18)22-13;/h2-12H,1H3,(H,22,23);1H.
What are the key properties of N-(4-chlorophenyl)-2-methylbenzo[h]quinolin-4-amine;hydrochloride?
N-(4-chlorophenyl)-2-methylbenzo[h]quinolin-4-amine;hydrochloride has a molecular weight of 355.27 g/mol, XLogP of 6.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-methylbenzo[h]quinolin-4-amine;hydrochloride is sourced from PubChem (CID 52997922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).