7-chloro-1-iodo-2-methoxy-9-phenylacridine

C20H13ClINO — CID 11408196

IUPAC7-chloro-1-iodo-2-methoxy-9-phenylacridine
SMILESCOc1ccc2nc3ccc(Cl)cc3c(-c3ccccc3)c2c1I
InChIInChI=1S/C20H13ClINO/c1-24-17-10-9-16-19(20(17)22)18(12-5-3-2-4-6-12)14-11-13(21)7-8-15(14)23-16/h2-11H,1H3
InChIKeyGDRGWKMVTDFTPQ-UHFFFAOYSA-N
MW445.69 g/mol
LogP6.32
Rot. Bonds2

About 7-chloro-1-iodo-2-methoxy-9-phenylacridine

7-chloro-1-iodo-2-methoxy-9-phenylacridine (PubChem CID 11408196) has the molecular formula C20H13ClINO and a molecular weight of 445.69 g/mol. Its IUPAC name is 7-chloro-1-iodo-2-methoxy-9-phenylacridine.

Molecular Properties

Compound Name7-chloro-1-iodo-2-methoxy-9-phenylacridine
PubChem CID11408196
Molecular FormulaC20H13ClINO
Molecular Weight445.69 g/mol
Exact Mass444.97
IUPAC Name7-chloro-1-iodo-2-methoxy-9-phenylacridine
SMILESCOc1ccc2nc3ccc(Cl)cc3c(-c3ccccc3)c2c1I
InChIInChI=1S/C20H13ClINO/c1-24-17-10-9-16-19(20(17)22)18(12-5-3-2-4-6-12)14-11-13(21)7-8-15(14)23-16/h2-11H,1H3
InChIKeyGDRGWKMVTDFTPQ-UHFFFAOYSA-N
XLogP6.32
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.69
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-methoxy-9-phenylacridine
CID 11439907
6,9-dichloro-1-methoxyacridine
CID 54563555
1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 3385049
2-amino-5,6-dimethoxy-4-phenylquinoline-3-carbonitrile
CID 70227227
6-chloro-2-ethyl-3-methyl-4-phenylquinoline
CID 71419956
6-chloro-3-methoxy-2-methyl-1-phenyl-9H-carbazole
CID 10947217
4,6-dichloro-2-(2-methoxyphenyl)quinazoline
CID 63084991
2-chloro-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
CID 2566475
6-chloro-2-methyl-4-phenylquinoline-3-carboxylic acid
CID 626798
methyl 6-chloro-2-ethyl-4-phenylquinoline-3-carboxylate
CID 139242418
(6-chloro-4-phenylquinolin-3-yl) acetate
CID 174381522
methyl 6-chloro-4-phenylquinoline-3-carboxylate
CID 10447368

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-iodo-2-methoxy-9-phenylacridine?
The IUPAC name of 7-chloro-1-iodo-2-methoxy-9-phenylacridine (CID 11408196) is 7-chloro-1-iodo-2-methoxy-9-phenylacridine.
What is the SMILES notation for 7-chloro-1-iodo-2-methoxy-9-phenylacridine?
The canonical SMILES for 7-chloro-1-iodo-2-methoxy-9-phenylacridine is COc1ccc2nc3ccc(Cl)cc3c(-c3ccccc3)c2c1I.
What is the InChIKey of 7-chloro-1-iodo-2-methoxy-9-phenylacridine?
The InChIKey is GDRGWKMVTDFTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClINO/c1-24-17-10-9-16-19(20(17)22)18(12-5-3-2-4-6-12)14-11-13(21)7-8-15(14)23-16/h2-11H,1H3.
What are the key properties of 7-chloro-1-iodo-2-methoxy-9-phenylacridine?
7-chloro-1-iodo-2-methoxy-9-phenylacridine has a molecular weight of 445.69 g/mol, XLogP of 6.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-iodo-2-methoxy-9-phenylacridine is sourced from PubChem (CID 11408196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).