N-pyridin-2-ylacridin-9-amine;hydrochloride

C18H14ClN3 — CID 127260537

IUPACN-pyridin-2-ylacridin-9-amine;hydrochloride
SMILESCl.c1ccc(Nc2c3ccccc3nc3ccccc23)nc1
InChIInChI=1S/C18H13N3.ClH/c1-3-9-15-13(7-1)18(21-17-11-5-6-12-19-17)14-8-2-4-10-16(14)20-15;/h1-12H,(H,19,20,21);1H
InChIKeyRKGWPORBEGTRPH-UHFFFAOYSA-N
MW307.78 g/mol
LogP4.95
Rot. Bonds2

About N-pyridin-2-ylacridin-9-amine;hydrochloride

N-pyridin-2-ylacridin-9-amine;hydrochloride (PubChem CID 127260537) has the molecular formula C18H14ClN3 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-pyridin-2-ylacridin-9-amine;hydrochloride.

Molecular Properties

Compound NameN-pyridin-2-ylacridin-9-amine;hydrochloride
PubChem CID127260537
Molecular FormulaC18H14ClN3
Molecular Weight307.78 g/mol
Exact Mass307.09
IUPAC NameN-pyridin-2-ylacridin-9-amine;hydrochloride
SMILESCl.c1ccc(Nc2c3ccccc3nc3ccccc23)nc1
InChIInChI=1S/C18H13N3.ClH/c1-3-9-15-13(7-1)18(21-17-11-5-6-12-19-17)14-8-2-4-10-16(14)20-15;/h1-12H,(H,19,20,21);1H
InChIKeyRKGWPORBEGTRPH-UHFFFAOYSA-N
XLogP4.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-ylacridin-9-amine;hydrochloride?
The IUPAC name of N-pyridin-2-ylacridin-9-amine;hydrochloride (CID 127260537) is N-pyridin-2-ylacridin-9-amine;hydrochloride.
What is the SMILES notation for N-pyridin-2-ylacridin-9-amine;hydrochloride?
The canonical SMILES for N-pyridin-2-ylacridin-9-amine;hydrochloride is Cl.c1ccc(Nc2c3ccccc3nc3ccccc23)nc1.
What is the InChIKey of N-pyridin-2-ylacridin-9-amine;hydrochloride?
The InChIKey is RKGWPORBEGTRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3.ClH/c1-3-9-15-13(7-1)18(21-17-11-5-6-12-19-17)14-8-2-4-10-16(14)20-15;/h1-12H,(H,19,20,21);1H.
What are the key properties of N-pyridin-2-ylacridin-9-amine;hydrochloride?
N-pyridin-2-ylacridin-9-amine;hydrochloride has a molecular weight of 307.78 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-ylacridin-9-amine;hydrochloride is sourced from PubChem (CID 127260537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).