6-imino-9-(4-methoxyphenyl)-N,N,10-trimethylacridin-3-amine

C23H23N3O — CID 23757991

IUPAC6-imino-9-(4-methoxyphenyl)-N,N,10-trimethylacridin-3-amine
SMILES[H]/N=c1\ccc2c(-c3ccc(OC)cc3)c3ccc(N(C)C)cc3n(C)c-2c1
InChIInChI=1S/C23H23N3O/c1-25(2)17-8-12-20-22(14-17)26(3)21-13-16(24)7-11-19(21)23(20)15-5-9-18(27-4)10-6-15/h5-14,24H,1-4H3/b24-16+
InChIKeyYDVIABOCYNDGRX-LFVJCYFKSA-N
MW357.46 g/mol
LogP4.50
Rot. Bonds3

About 6-imino-9-(4-methoxyphenyl)-N,N,10-trimethylacridin-3-amine

6-imino-9-(4-methoxyphenyl)-N,N,10-trimethylacridin-3-amine (PubChem CID 23757991) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 6-imino-9-(4-methoxyphenyl)-N,N,10-trimethylacridin-3-amine.

Molecular Properties

Compound Name6-imino-9-(4-methoxyphenyl)-N,N,10-trimethylacridin-3-amine
PubChem CID23757991
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name6-imino-9-(4-methoxyphenyl)-N,N,10-trimethylacridin-3-amine
SMILES[H]/N=c1\ccc2c(-c3ccc(OC)cc3)c3ccc(N(C)C)cc3n(C)c-2c1
InChIInChI=1S/C23H23N3O/c1-25(2)17-8-12-20-22(14-17)26(3)21-13-16(24)7-11-19(21)23(20)15-5-9-18(27-4)10-6-15/h5-14,24H,1-4H3/b24-16+
InChIKeyYDVIABOCYNDGRX-LFVJCYFKSA-N
XLogP4.50
TPSA41.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-imino-9-(4-methoxyphenyl)-N,N,10-trimethylacridin-3-amine?
The IUPAC name of 6-imino-9-(4-methoxyphenyl)-N,N,10-trimethylacridin-3-amine (CID 23757991) is 6-imino-9-(4-methoxyphenyl)-N,N,10-trimethylacridin-3-amine.
What is the SMILES notation for 6-imino-9-(4-methoxyphenyl)-N,N,10-trimethylacridin-3-amine?
The canonical SMILES for 6-imino-9-(4-methoxyphenyl)-N,N,10-trimethylacridin-3-amine is [H]/N=c1\ccc2c(-c3ccc(OC)cc3)c3ccc(N(C)C)cc3n(C)c-2c1.
What is the InChIKey of 6-imino-9-(4-methoxyphenyl)-N,N,10-trimethylacridin-3-amine?
The InChIKey is YDVIABOCYNDGRX-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H23N3O/c1-25(2)17-8-12-20-22(14-17)26(3)21-13-16(24)7-11-19(21)23(20)15-5-9-18(27-4)10-6-15/h5-14,24H,1-4H3/b24-16+.
What are the key properties of 6-imino-9-(4-methoxyphenyl)-N,N,10-trimethylacridin-3-amine?
6-imino-9-(4-methoxyphenyl)-N,N,10-trimethylacridin-3-amine has a molecular weight of 357.46 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-9-(4-methoxyphenyl)-N,N,10-trimethylacridin-3-amine is sourced from PubChem (CID 23757991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).