6-chloro-2-methoxy-N-(4-methoxyphenyl)acridin-9-amine;hydrochloride

C21H18Cl2N2O2 — CID 44531580

IUPAC6-chloro-2-methoxy-N-(4-methoxyphenyl)acridin-9-amine;hydrochloride
SMILESCOc1ccc(Nc2c3ccc(Cl)cc3nc3ccc(OC)cc23)cc1.Cl
InChIInChI=1S/C21H17ClN2O2.ClH/c1-25-15-6-4-14(5-7-15)23-21-17-9-3-13(22)11-20(17)24-19-10-8-16(26-2)12-18(19)21;/h3-12H,1-2H3,(H,23,24);1H
InChIKeyQBWNJMLSHVIMPA-UHFFFAOYSA-N
MW401.29 g/mol
LogP6.22
Rot. Bonds4

About 6-chloro-2-methoxy-N-(4-methoxyphenyl)acridin-9-amine;hydrochloride

6-chloro-2-methoxy-N-(4-methoxyphenyl)acridin-9-amine;hydrochloride (PubChem CID 44531580) has the molecular formula C21H18Cl2N2O2 and a molecular weight of 401.29 g/mol. Its IUPAC name is 6-chloro-2-methoxy-N-(4-methoxyphenyl)acridin-9-amine;hydrochloride.

Molecular Properties

Compound Name6-chloro-2-methoxy-N-(4-methoxyphenyl)acridin-9-amine;hydrochloride
PubChem CID44531580
Molecular FormulaC21H18Cl2N2O2
Molecular Weight401.29 g/mol
Exact Mass400.07
IUPAC Name6-chloro-2-methoxy-N-(4-methoxyphenyl)acridin-9-amine;hydrochloride
SMILESCOc1ccc(Nc2c3ccc(Cl)cc3nc3ccc(OC)cc23)cc1.Cl
InChIInChI=1S/C21H17ClN2O2.ClH/c1-25-15-6-4-14(5-7-15)23-21-17-9-3-13(22)11-20(17)24-19-10-8-16(26-2)12-18(19)21;/h3-12H,1-2H3,(H,23,24);1H
InChIKeyQBWNJMLSHVIMPA-UHFFFAOYSA-N
XLogP6.22
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.29
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 6-chloro-2-methoxy-N-(4-methoxyphenyl)acridin-9-amine;hydrochloride?
The IUPAC name of 6-chloro-2-methoxy-N-(4-methoxyphenyl)acridin-9-amine;hydrochloride (CID 44531580) is 6-chloro-2-methoxy-N-(4-methoxyphenyl)acridin-9-amine;hydrochloride.
What is the SMILES notation for 6-chloro-2-methoxy-N-(4-methoxyphenyl)acridin-9-amine;hydrochloride?
The canonical SMILES for 6-chloro-2-methoxy-N-(4-methoxyphenyl)acridin-9-amine;hydrochloride is COc1ccc(Nc2c3ccc(Cl)cc3nc3ccc(OC)cc23)cc1.Cl.
What is the InChIKey of 6-chloro-2-methoxy-N-(4-methoxyphenyl)acridin-9-amine;hydrochloride?
The InChIKey is QBWNJMLSHVIMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O2.ClH/c1-25-15-6-4-14(5-7-15)23-21-17-9-3-13(22)11-20(17)24-19-10-8-16(26-2)12-18(19)21;/h3-12H,1-2H3,(H,23,24);1H.
What are the key properties of 6-chloro-2-methoxy-N-(4-methoxyphenyl)acridin-9-amine;hydrochloride?
6-chloro-2-methoxy-N-(4-methoxyphenyl)acridin-9-amine;hydrochloride has a molecular weight of 401.29 g/mol, XLogP of 6.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methoxy-N-(4-methoxyphenyl)acridin-9-amine;hydrochloride is sourced from PubChem (CID 44531580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).