9-Phenoxyacridine

C19H13NO — CID 100640

IUPAC9-phenoxyacridine
SMILESC1=CC=C(C=C1)OC2=C3C=CC=CC3=NC4=CC=CC=C42
InChIInChI=1S/C19H13NO/c1-2-8-14(9-3-1)21-19-15-10-4-6-12-17(15)20-18-13-7-5-11-16(18)19/h1-13H
InChIKeyMFCLDPQGJMEEBE-UHFFFAOYSA-N
MW271.30 g/mol
LogP5.10
Rot. Bonds2

About 9-Phenoxyacridine

9-Phenoxyacridine (PubChem CID 100640) has the molecular formula C19H13NO and a molecular weight of 271.30 g/mol. Its IUPAC name is 9-phenoxyacridine.

Molecular Properties

Compound Name9-Phenoxyacridine
PubChem CID100640
Molecular FormulaC19H13NO
Molecular Weight271.30 g/mol
Exact Mass271.10
IUPAC Name9-phenoxyacridine
SMILESC1=CC=C(C=C1)OC2=C3C=CC=CC3=NC4=CC=CC=C42
InChIInChI=1S/C19H13NO/c1-2-8-14(9-3-1)21-19-15-10-4-6-12-17(15)20-18-13-7-5-11-16(18)19/h1-13H
InChIKeyMFCLDPQGJMEEBE-UHFFFAOYSA-N
XLogP5.10
TPSA22.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity316

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.30
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

Ethacridine
CID 2017
alpha-Pentyl-3-(2-quinolinylmethoxy)benzenemethanol
CID 5059
6-Methoxy-1,2,3,4-tetrahydroacridin-9-amine
CID 3075610
4-Methoxy-2-Phenylquinoline
CID 826247
7-Methoxytacrine
CID 119053
9-Amino-2-methoxyacridine
CID 18867
Acridine, 9-(p-anisidino)-
CID 43640
2-(4-Methoxy-phenyl)-3-phenyl-quinoxaline
CID 687304
9-Methoxyacridine
CID 99383
2-(4-Methoxyphenyl)quinoline
CID 1481967
Quinoxaline, 2,3-bis(2-methoxyphenyl)-
CID 774402
7-Benzyloxyquinoline
CID 3035604

Frequently Asked Questions

What is the IUPAC name of 9-Phenoxyacridine?
The IUPAC name of 9-Phenoxyacridine (CID 100640) is 9-phenoxyacridine.
What is the SMILES notation for 9-Phenoxyacridine?
The canonical SMILES for 9-Phenoxyacridine is C1=CC=C(C=C1)OC2=C3C=CC=CC3=NC4=CC=CC=C42.
What is the InChIKey of 9-Phenoxyacridine?
The InChIKey is MFCLDPQGJMEEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO/c1-2-8-14(9-3-1)21-19-15-10-4-6-12-17(15)20-18-13-7-5-11-16(18)19/h1-13H.
What are the key properties of 9-Phenoxyacridine?
9-Phenoxyacridine has a molecular weight of 271.30 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-Phenoxyacridine is sourced from PubChem (CID 100640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).