3-[(3-nitrophenyl)methoxy]acridine-9-carboxylic acid

C21H14N2O5 — CID 22114771

IUPAC3-[(3-nitrophenyl)methoxy]acridine-9-carboxylic acid
SMILESO=C(O)c1c2ccccc2nc2cc(OCc3cccc([N+](=O)[O-])c3)ccc12
InChIInChI=1S/C21H14N2O5/c24-21(25)20-16-6-1-2-7-18(16)22-19-11-15(8-9-17(19)20)28-12-13-4-3-5-14(10-13)23(26)27/h1-11H,12H2,(H,24,25)
InChIKeyJNFPRSJDZBSBKP-UHFFFAOYSA-N
MW374.35 g/mol
LogP4.57
Rot. Bonds5

About 3-[(3-nitrophenyl)methoxy]acridine-9-carboxylic acid

3-[(3-nitrophenyl)methoxy]acridine-9-carboxylic acid (PubChem CID 22114771) has the molecular formula C21H14N2O5 and a molecular weight of 374.35 g/mol. Its IUPAC name is 3-[(3-nitrophenyl)methoxy]acridine-9-carboxylic acid.

Molecular Properties

Compound Name3-[(3-nitrophenyl)methoxy]acridine-9-carboxylic acid
PubChem CID22114771
Molecular FormulaC21H14N2O5
Molecular Weight374.35 g/mol
Exact Mass374.09
IUPAC Name3-[(3-nitrophenyl)methoxy]acridine-9-carboxylic acid
SMILESO=C(O)c1c2ccccc2nc2cc(OCc3cccc([N+](=O)[O-])c3)ccc12
InChIInChI=1S/C21H14N2O5/c24-21(25)20-16-6-1-2-7-18(16)22-19-11-15(8-9-17(19)20)28-12-13-4-3-5-14(10-13)23(26)27/h1-11H,12H2,(H,24,25)
InChIKeyJNFPRSJDZBSBKP-UHFFFAOYSA-N
XLogP4.57
TPSA102.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-nitro-3-[[3-[(3-nitrophenyl)methoxy]phenoxy]methyl]benzene
CID 3841290
1-nitro-3-[(4-phenylphenoxy)methyl]benzene
CID 58287787
ethane;1-nitro-3-(phenoxymethyl)benzene
CID 142321514
3-[(3-nitrophenoxy)methyl]benzoic acid
CID 14974400
1-[4-[(3-nitrophenyl)methoxy]phenyl]ethanone
CID 24695698
4-[(3-nitrophenoxy)methyl]pyridine-2-carboxylic acid
CID 63884784
3-[(4-nitrophenoxy)methyl]benzoic acid
CID 7015977
4-[(3-nitrophenyl)methoxy]benzenesulfonyl chloride
CID 43108766
1-ethyl-3-[(3-nitrophenyl)methoxy]benzene
CID 60627241
[3-[(3-nitrophenyl)methoxy]phenyl]methanamine
CID 60880181
1-[(3-fluorophenoxy)methyl]-3-nitrobenzene
CID 60628017
2-acetyl-5-[(3-nitrophenyl)methoxy]benzonitrile
CID 91863696

Frequently Asked Questions

What is the IUPAC name of 3-[(3-nitrophenyl)methoxy]acridine-9-carboxylic acid?
The IUPAC name of 3-[(3-nitrophenyl)methoxy]acridine-9-carboxylic acid (CID 22114771) is 3-[(3-nitrophenyl)methoxy]acridine-9-carboxylic acid.
What is the SMILES notation for 3-[(3-nitrophenyl)methoxy]acridine-9-carboxylic acid?
The canonical SMILES for 3-[(3-nitrophenyl)methoxy]acridine-9-carboxylic acid is O=C(O)c1c2ccccc2nc2cc(OCc3cccc([N+](=O)[O-])c3)ccc12.
What is the InChIKey of 3-[(3-nitrophenyl)methoxy]acridine-9-carboxylic acid?
The InChIKey is JNFPRSJDZBSBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O5/c24-21(25)20-16-6-1-2-7-18(16)22-19-11-15(8-9-17(19)20)28-12-13-4-3-5-14(10-13)23(26)27/h1-11H,12H2,(H,24,25).
What are the key properties of 3-[(3-nitrophenyl)methoxy]acridine-9-carboxylic acid?
3-[(3-nitrophenyl)methoxy]acridine-9-carboxylic acid has a molecular weight of 374.35 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-nitrophenyl)methoxy]acridine-9-carboxylic acid is sourced from PubChem (CID 22114771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).