9-(1,3-benzodioxol-5-yl)-6-imino-N,N,10-trimethylacridin-3-amine

C23H21N3O2 — CID 23816048

IUPAC9-(1,3-benzodioxol-5-yl)-6-imino-N,N,10-trimethylacridin-3-amine
SMILES[H]/N=c1\ccc2c(-c3ccc4c(c3)OCO4)c3ccc(N(C)C)cc3n(C)c-2c1
InChIInChI=1S/C23H21N3O2/c1-25(2)16-6-8-18-20(12-16)26(3)19-11-15(24)5-7-17(19)23(18)14-4-9-21-22(10-14)28-13-27-21/h4-12,24H,13H2,1-3H3/b24-15+
InChIKeyLCIDAVXIIGCVNS-BUVRLJJBSA-N
MW371.44 g/mol
LogP4.22
Rot. Bonds2

About 9-(1,3-benzodioxol-5-yl)-6-imino-N,N,10-trimethylacridin-3-amine

9-(1,3-benzodioxol-5-yl)-6-imino-N,N,10-trimethylacridin-3-amine (PubChem CID 23816048) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 9-(1,3-benzodioxol-5-yl)-6-imino-N,N,10-trimethylacridin-3-amine.

Molecular Properties

Compound Name9-(1,3-benzodioxol-5-yl)-6-imino-N,N,10-trimethylacridin-3-amine
PubChem CID23816048
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name9-(1,3-benzodioxol-5-yl)-6-imino-N,N,10-trimethylacridin-3-amine
SMILES[H]/N=c1\ccc2c(-c3ccc4c(c3)OCO4)c3ccc(N(C)C)cc3n(C)c-2c1
InChIInChI=1S/C23H21N3O2/c1-25(2)16-6-8-18-20(12-16)26(3)19-11-15(24)5-7-17(19)23(18)14-4-9-21-22(10-14)28-13-27-21/h4-12,24H,13H2,1-3H3/b24-15+
InChIKeyLCIDAVXIIGCVNS-BUVRLJJBSA-N
XLogP4.22
TPSA50.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 9-(1,3-benzodioxol-5-yl)-6-imino-N,N,10-trimethylacridin-3-amine?
The IUPAC name of 9-(1,3-benzodioxol-5-yl)-6-imino-N,N,10-trimethylacridin-3-amine (CID 23816048) is 9-(1,3-benzodioxol-5-yl)-6-imino-N,N,10-trimethylacridin-3-amine.
What is the SMILES notation for 9-(1,3-benzodioxol-5-yl)-6-imino-N,N,10-trimethylacridin-3-amine?
The canonical SMILES for 9-(1,3-benzodioxol-5-yl)-6-imino-N,N,10-trimethylacridin-3-amine is [H]/N=c1\ccc2c(-c3ccc4c(c3)OCO4)c3ccc(N(C)C)cc3n(C)c-2c1.
What is the InChIKey of 9-(1,3-benzodioxol-5-yl)-6-imino-N,N,10-trimethylacridin-3-amine?
The InChIKey is LCIDAVXIIGCVNS-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-25(2)16-6-8-18-20(12-16)26(3)19-11-15(24)5-7-17(19)23(18)14-4-9-21-22(10-14)28-13-27-21/h4-12,24H,13H2,1-3H3/b24-15+.
What are the key properties of 9-(1,3-benzodioxol-5-yl)-6-imino-N,N,10-trimethylacridin-3-amine?
9-(1,3-benzodioxol-5-yl)-6-imino-N,N,10-trimethylacridin-3-amine has a molecular weight of 371.44 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,3-benzodioxol-5-yl)-6-imino-N,N,10-trimethylacridin-3-amine is sourced from PubChem (CID 23816048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).