6-chloro-2-methoxy-N-(4-morpholin-4-ylphenyl)acridin-9-amine

C24H22ClN3O2 — CID 44560968

IUPAC6-chloro-2-methoxy-N-(4-morpholin-4-ylphenyl)acridin-9-amine
SMILESCOc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(N4CCOCC4)cc3)c2c1
InChIInChI=1S/C24H22ClN3O2/c1-29-19-7-9-22-21(15-19)24(20-8-2-16(25)14-23(20)27-22)26-17-3-5-18(6-4-17)28-10-12-30-13-11-28/h2-9,14-15H,10-13H2,1H3,(H,26,27)
InChIKeyLFZFLCNYASOBIF-UHFFFAOYSA-N
MW419.91 g/mol
LogP5.63
Rot. Bonds4

About 6-chloro-2-methoxy-N-(4-morpholin-4-ylphenyl)acridin-9-amine

6-chloro-2-methoxy-N-(4-morpholin-4-ylphenyl)acridin-9-amine (PubChem CID 44560968) has the molecular formula C24H22ClN3O2 and a molecular weight of 419.91 g/mol. Its IUPAC name is 6-chloro-2-methoxy-N-(4-morpholin-4-ylphenyl)acridin-9-amine.

Molecular Properties

Compound Name6-chloro-2-methoxy-N-(4-morpholin-4-ylphenyl)acridin-9-amine
PubChem CID44560968
Molecular FormulaC24H22ClN3O2
Molecular Weight419.91 g/mol
Exact Mass419.14
IUPAC Name6-chloro-2-methoxy-N-(4-morpholin-4-ylphenyl)acridin-9-amine
SMILESCOc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(N4CCOCC4)cc3)c2c1
InChIInChI=1S/C24H22ClN3O2/c1-29-19-7-9-22-21(15-19)24(20-8-2-16(25)14-23(20)27-22)26-17-3-5-18(6-4-17)28-10-12-30-13-11-28/h2-9,14-15H,10-13H2,1H3,(H,26,27)
InChIKeyLFZFLCNYASOBIF-UHFFFAOYSA-N
XLogP5.63
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.91
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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-morpholin-4-ylphenyl)acridin-9-amine?
The IUPAC name of 6-chloro-2-methoxy-N-(4-morpholin-4-ylphenyl)acridin-9-amine (CID 44560968) is 6-chloro-2-methoxy-N-(4-morpholin-4-ylphenyl)acridin-9-amine.
What is the SMILES notation for 6-chloro-2-methoxy-N-(4-morpholin-4-ylphenyl)acridin-9-amine?
The canonical SMILES for 6-chloro-2-methoxy-N-(4-morpholin-4-ylphenyl)acridin-9-amine is COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(N4CCOCC4)cc3)c2c1.
What is the InChIKey of 6-chloro-2-methoxy-N-(4-morpholin-4-ylphenyl)acridin-9-amine?
The InChIKey is LFZFLCNYASOBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O2/c1-29-19-7-9-22-21(15-19)24(20-8-2-16(25)14-23(20)27-22)26-17-3-5-18(6-4-17)28-10-12-30-13-11-28/h2-9,14-15H,10-13H2,1H3,(H,26,27).
What are the key properties of 6-chloro-2-methoxy-N-(4-morpholin-4-ylphenyl)acridin-9-amine?
6-chloro-2-methoxy-N-(4-morpholin-4-ylphenyl)acridin-9-amine has a molecular weight of 419.91 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methoxy-N-(4-morpholin-4-ylphenyl)acridin-9-amine is sourced from PubChem (CID 44560968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).