4-acridin-9-yl-3-methoxyaniline

C20H16N2O — CID 21106052

IUPAC4-acridin-9-yl-3-methoxyaniline
SMILESCOc1cc(N)ccc1-c1c2ccccc2nc2ccccc12
InChIInChI=1S/C20H16N2O/c1-23-19-12-13(21)10-11-16(19)20-14-6-2-4-8-17(14)22-18-9-5-3-7-15(18)20/h2-12H,21H2,1H3
InChIKeyUTRNNVSMOJSZGY-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.65
Rot. Bonds2

About 4-acridin-9-yl-3-methoxyaniline

4-acridin-9-yl-3-methoxyaniline (PubChem CID 21106052) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-acridin-9-yl-3-methoxyaniline.

Molecular Properties

Compound Name4-acridin-9-yl-3-methoxyaniline
PubChem CID21106052
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name4-acridin-9-yl-3-methoxyaniline
SMILESCOc1cc(N)ccc1-c1c2ccccc2nc2ccccc12
InChIInChI=1S/C20H16N2O/c1-23-19-12-13(21)10-11-16(19)20-14-6-2-4-8-17(14)22-18-9-5-3-7-15(18)20/h2-12H,21H2,1H3
InChIKeyUTRNNVSMOJSZGY-UHFFFAOYSA-N
XLogP4.65
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-acridin-9-yl-6-methoxyaniline
CID 150368327
3-methoxy-4-(1-methylbenzimidazol-2-yl)aniline
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4-(7-chloro-1,3-benzoxazol-2-yl)-3-methoxyaniline
CID 107209324
3-methoxy-4-(4-phenoxyphenyl)aniline
CID 57279676
3-acridin-9-ylaniline
CID 87131444
2-(2-methoxy-5-methylphenyl)quinolin-4-amine
CID 82091521
3-N-acridin-1-yl-4-methoxybenzene-1,3-diamine
CID 87747161
3-(1,2,4-benzotriazin-3-yl)-4-methoxyaniline
CID 82481460
ethane;3-methoxy-4-[(E)-2-quinolin-4-ylethenyl]aniline
CID 177342284
3-methoxy-4-(4-methyl-1,3-benzothiazol-2-yl)aniline
CID 107209141
4-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-methoxyaniline
CID 82472146
4-(2-methoxy-4-methylphenoxy)quinazolin-2-amine
CID 80874331

Frequently Asked Questions

What is the IUPAC name of 4-acridin-9-yl-3-methoxyaniline?
The IUPAC name of 4-acridin-9-yl-3-methoxyaniline (CID 21106052) is 4-acridin-9-yl-3-methoxyaniline.
What is the SMILES notation for 4-acridin-9-yl-3-methoxyaniline?
The canonical SMILES for 4-acridin-9-yl-3-methoxyaniline is COc1cc(N)ccc1-c1c2ccccc2nc2ccccc12.
What is the InChIKey of 4-acridin-9-yl-3-methoxyaniline?
The InChIKey is UTRNNVSMOJSZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c1-23-19-12-13(21)10-11-16(19)20-14-6-2-4-8-17(14)22-18-9-5-3-7-15(18)20/h2-12H,21H2,1H3.
What are the key properties of 4-acridin-9-yl-3-methoxyaniline?
4-acridin-9-yl-3-methoxyaniline has a molecular weight of 300.36 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acridin-9-yl-3-methoxyaniline is sourced from PubChem (CID 21106052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).