2,3,9,10-tetramethoxy-7-methylbenzo[c]acridine

C22H21NO4 — CID 19610813

IUPAC2,3,9,10-tetramethoxy-7-methylbenzo[c]acridine
SMILESCOc1cc2ccc3c(C)c4cc(OC)c(OC)cc4nc3c2cc1OC
InChIInChI=1S/C22H21NO4/c1-12-14-7-6-13-8-18(24-2)20(26-4)10-16(13)22(14)23-17-11-21(27-5)19(25-3)9-15(12)17/h6-11H,1-5H3
InChIKeySDQOUGBEKUBKOI-UHFFFAOYSA-N
MW363.41 g/mol
LogP4.88
Rot. Bonds4

About 2,3,9,10-tetramethoxy-7-methylbenzo[c]acridine

2,3,9,10-tetramethoxy-7-methylbenzo[c]acridine (PubChem CID 19610813) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is 2,3,9,10-tetramethoxy-7-methylbenzo[c]acridine.

Molecular Properties

Compound Name2,3,9,10-tetramethoxy-7-methylbenzo[c]acridine
PubChem CID19610813
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Name2,3,9,10-tetramethoxy-7-methylbenzo[c]acridine
SMILESCOc1cc2ccc3c(C)c4cc(OC)c(OC)cc4nc3c2cc1OC
InChIInChI=1S/C22H21NO4/c1-12-14-7-6-13-8-18(24-2)20(26-4)10-16(13)22(14)23-17-11-21(27-5)19(25-3)9-15(12)17/h6-11H,1-5H3
InChIKeySDQOUGBEKUBKOI-UHFFFAOYSA-N
XLogP4.88
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,9,10-tetramethoxy-7-methylbenzo[c]acridine?
The IUPAC name of 2,3,9,10-tetramethoxy-7-methylbenzo[c]acridine (CID 19610813) is 2,3,9,10-tetramethoxy-7-methylbenzo[c]acridine.
What is the SMILES notation for 2,3,9,10-tetramethoxy-7-methylbenzo[c]acridine?
The canonical SMILES for 2,3,9,10-tetramethoxy-7-methylbenzo[c]acridine is COc1cc2ccc3c(C)c4cc(OC)c(OC)cc4nc3c2cc1OC.
What is the InChIKey of 2,3,9,10-tetramethoxy-7-methylbenzo[c]acridine?
The InChIKey is SDQOUGBEKUBKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4/c1-12-14-7-6-13-8-18(24-2)20(26-4)10-16(13)22(14)23-17-11-21(27-5)19(25-3)9-15(12)17/h6-11H,1-5H3.
What are the key properties of 2,3,9,10-tetramethoxy-7-methylbenzo[c]acridine?
2,3,9,10-tetramethoxy-7-methylbenzo[c]acridine has a molecular weight of 363.41 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,9,10-tetramethoxy-7-methylbenzo[c]acridine is sourced from PubChem (CID 19610813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).