8-anilino-7-methoxynaphthalene-2-carboximidamide;2,2,2-trifluoroacetic acid

C20H18F3N3O3 — CID 70209364

IUPAC8-anilino-7-methoxynaphthalene-2-carboximidamide;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.[H]/N=C(\N)c1ccc2ccc(OC)c(Nc3ccccc3)c2c1
InChIInChI=1S/C18H17N3O.C2HF3O2/c1-22-16-10-9-12-7-8-13(18(19)20)11-15(12)17(16)21-14-5-3-2-4-6-14;3-2(4,5)1(6)7/h2-11,21H,1H3,(H3,19,20);(H,6,7)
InChIKeyRCVFQBXTWLFFAS-UHFFFAOYSA-N
MW405.38 g/mol
LogP4.51
Rot. Bonds4

About 8-anilino-7-methoxynaphthalene-2-carboximidamide;2,2,2-trifluoroacetic acid

8-anilino-7-methoxynaphthalene-2-carboximidamide;2,2,2-trifluoroacetic acid (PubChem CID 70209364) has the molecular formula C20H18F3N3O3 and a molecular weight of 405.38 g/mol. Its IUPAC name is 8-anilino-7-methoxynaphthalene-2-carboximidamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name8-anilino-7-methoxynaphthalene-2-carboximidamide;2,2,2-trifluoroacetic acid
PubChem CID70209364
Molecular FormulaC20H18F3N3O3
Molecular Weight405.38 g/mol
Exact Mass405.13
IUPAC Name8-anilino-7-methoxynaphthalene-2-carboximidamide;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.[H]/N=C(\N)c1ccc2ccc(OC)c(Nc3ccccc3)c2c1
InChIInChI=1S/C18H17N3O.C2HF3O2/c1-22-16-10-9-12-7-8-13(18(19)20)11-15(12)17(16)21-14-5-3-2-4-6-14;3-2(4,5)1(6)7/h2-11,21H,1H3,(H3,19,20);(H,6,7)
InChIKeyRCVFQBXTWLFFAS-UHFFFAOYSA-N
XLogP4.51
TPSA108.43 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 54.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-anilino-7-methoxynaphthalene-2-carboximidamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 8-anilino-7-methoxynaphthalene-2-carboximidamide;2,2,2-trifluoroacetic acid (CID 70209364) is 8-anilino-7-methoxynaphthalene-2-carboximidamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 8-anilino-7-methoxynaphthalene-2-carboximidamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 8-anilino-7-methoxynaphthalene-2-carboximidamide;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.[H]/N=C(\N)c1ccc2ccc(OC)c(Nc3ccccc3)c2c1.
What is the InChIKey of 8-anilino-7-methoxynaphthalene-2-carboximidamide;2,2,2-trifluoroacetic acid?
The InChIKey is RCVFQBXTWLFFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O.C2HF3O2/c1-22-16-10-9-12-7-8-13(18(19)20)11-15(12)17(16)21-14-5-3-2-4-6-14;3-2(4,5)1(6)7/h2-11,21H,1H3,(H3,19,20);(H,6,7).
What are the key properties of 8-anilino-7-methoxynaphthalene-2-carboximidamide;2,2,2-trifluoroacetic acid?
8-anilino-7-methoxynaphthalene-2-carboximidamide;2,2,2-trifluoroacetic acid has a molecular weight of 405.38 g/mol, XLogP of 4.51, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-anilino-7-methoxynaphthalene-2-carboximidamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 70209364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).