2-[2-(4-methoxyphenyl)ethenyl]acridine-9-carboxylic acid

C23H17NO3 — CID 152754992

IUPAC2-[2-(4-methoxyphenyl)ethenyl]acridine-9-carboxylic acid
SMILESCOc1ccc(C=Cc2ccc3nc4ccccc4c(C(=O)O)c3c2)cc1
InChIInChI=1S/C23H17NO3/c1-27-17-11-8-15(9-12-17)6-7-16-10-13-21-19(14-16)22(23(25)26)18-4-2-3-5-20(18)24-21/h2-14H,1H3,(H,25,26)
InChIKeyGTCQEQKXBQRKEQ-UHFFFAOYSA-N
MW355.39 g/mol
LogP5.27
Rot. Bonds4

About 2-[2-(4-methoxyphenyl)ethenyl]acridine-9-carboxylic acid

2-[2-(4-methoxyphenyl)ethenyl]acridine-9-carboxylic acid (PubChem CID 152754992) has the molecular formula C23H17NO3 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)ethenyl]acridine-9-carboxylic acid.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)ethenyl]acridine-9-carboxylic acid
PubChem CID152754992
Molecular FormulaC23H17NO3
Molecular Weight355.39 g/mol
Exact Mass355.12
IUPAC Name2-[2-(4-methoxyphenyl)ethenyl]acridine-9-carboxylic acid
SMILESCOc1ccc(C=Cc2ccc3nc4ccccc4c(C(=O)O)c3c2)cc1
InChIInChI=1S/C23H17NO3/c1-27-17-11-8-15(9-12-17)6-7-16-10-13-21-19(14-16)22(23(25)26)18-4-2-3-5-20(18)24-21/h2-14H,1H3,(H,25,26)
InChIKeyGTCQEQKXBQRKEQ-UHFFFAOYSA-N
XLogP5.27
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.39
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-bis(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 95560580
phenyl 2,7-dimethoxyacridine-9-carboxylate
CID 19364944
3-methyl-2-[(E)-2-phenylethenyl]quinoline-4-carboxylic acid
CID 84819262
4-methoxy-N-[(E)-2-(4-methoxyphenyl)ethenyl]quinoline-2-carboxamide
CID 71567335
dimethyl 6-[(E)-2-phenylethenyl]quinoline-2,4-dicarboxylate
CID 11089322
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine
CID 54579890
(2-hydroxyacridin-9-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 11429878
1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]naphthalene
CID 5092945
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
methyl acridine-9-carboxylate
CID 21211
2-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]quinoline-4-carboxylic acid
CID 4779971
2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazol-1-yl]-1-phenylethanone
CID 16999755

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)ethenyl]acridine-9-carboxylic acid?
The IUPAC name of 2-[2-(4-methoxyphenyl)ethenyl]acridine-9-carboxylic acid (CID 152754992) is 2-[2-(4-methoxyphenyl)ethenyl]acridine-9-carboxylic acid.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)ethenyl]acridine-9-carboxylic acid?
The canonical SMILES for 2-[2-(4-methoxyphenyl)ethenyl]acridine-9-carboxylic acid is COc1ccc(C=Cc2ccc3nc4ccccc4c(C(=O)O)c3c2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)ethenyl]acridine-9-carboxylic acid?
The InChIKey is GTCQEQKXBQRKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO3/c1-27-17-11-8-15(9-12-17)6-7-16-10-13-21-19(14-16)22(23(25)26)18-4-2-3-5-20(18)24-21/h2-14H,1H3,(H,25,26).
What are the key properties of 2-[2-(4-methoxyphenyl)ethenyl]acridine-9-carboxylic acid?
2-[2-(4-methoxyphenyl)ethenyl]acridine-9-carboxylic acid has a molecular weight of 355.39 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)ethenyl]acridine-9-carboxylic acid is sourced from PubChem (CID 152754992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).