1,4-dimethylacridine;2,3-dimethylacridine;2,6-dimethylacridine;2,7-dimethylacridine;2,8-dimethylquinoxaline;6,7-dimethylquinoxaline

C80H72N8 — CID 159403810

IUPAC1,4-dimethylacridine;2,3-dimethylacridine;2,6-dimethylacridine;2,7-dimethylacridine;2,8-dimethylquinoxaline;6,7-dimethylquinoxaline
SMILESCc1cc2cc3ccccc3nc2cc1C.Cc1cc2nccnc2cc1C.Cc1ccc(C)c2nc3ccccc3cc12.Cc1ccc2nc3cc(C)ccc3cc2c1.Cc1ccc2nc3ccc(C)cc3cc2c1.Cc1cnc2cccc(C)c2n1
InChIInChI=1S/4C15H13N.2C10H10N2/c1-10-4-6-14-13(7-10)9-12-5-3-11(2)8-15(12)16-14;1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)16-14;1-10-7-13-9-12-5-3-4-6-14(12)16-15(13)8-11(10)2;1-10-7-8-11(2)15-13(10)9-12-5-3-4-6-14(12)16-15;1-7-5-9-10(6-8(7)2)12-4-3-11-9;1-7-4-3-5-9-10(7)12-8(2)6-11-9/h4*3-9H,1-2H3;2*3-6H,1-2H3
InChIKeyLNRQZINPARTWKD-UHFFFAOYSA-N
MW1145.51 g/mol
LogP20.51
Rot. Bonds

About 1,4-dimethylacridine;2,3-dimethylacridine;2,6-dimethylacridine;2,7-dimethylacridine;2,8-dimethylquinoxaline;6,7-dimethylquinoxaline

1,4-dimethylacridine;2,3-dimethylacridine;2,6-dimethylacridine;2,7-dimethylacridine;2,8-dimethylquinoxaline;6,7-dimethylquinoxaline (PubChem CID 159403810) has the molecular formula C80H72N8 and a molecular weight of 1145.51 g/mol. Its IUPAC name is 1,4-dimethylacridine;2,3-dimethylacridine;2,6-dimethylacridine;2,7-dimethylacridine;2,8-dimethylquinoxaline;6,7-dimethylquinoxaline.

Molecular Properties

Compound Name1,4-dimethylacridine;2,3-dimethylacridine;2,6-dimethylacridine;2,7-dimethylacridine;2,8-dimethylquinoxaline;6,7-dimethylquinoxaline
PubChem CID159403810
Molecular FormulaC80H72N8
Molecular Weight1145.51 g/mol
Exact Mass1144.59
IUPAC Name1,4-dimethylacridine;2,3-dimethylacridine;2,6-dimethylacridine;2,7-dimethylacridine;2,8-dimethylquinoxaline;6,7-dimethylquinoxaline
SMILESCc1cc2cc3ccccc3nc2cc1C.Cc1cc2nccnc2cc1C.Cc1ccc(C)c2nc3ccccc3cc12.Cc1ccc2nc3cc(C)ccc3cc2c1.Cc1ccc2nc3ccc(C)cc3cc2c1.Cc1cnc2cccc(C)c2n1
InChIInChI=1S/4C15H13N.2C10H10N2/c1-10-4-6-14-13(7-10)9-12-5-3-11(2)8-15(12)16-14;1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)16-14;1-10-7-13-9-12-5-3-4-6-14(12)16-15(13)8-11(10)2;1-10-7-8-11(2)15-13(10)9-12-5-3-4-6-14(12)16-15;1-7-5-9-10(6-8(7)2)12-4-3-11-9;1-7-4-3-5-9-10(7)12-8(2)6-11-9/h4*3-9H,1-2H3;2*3-6H,1-2H3
InChIKeyLNRQZINPARTWKD-UHFFFAOYSA-N
XLogP20.51
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001145.51
LogP ≤ 520.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1,4-dimethylacridine;2,3-dimethylacridine;2,6-dimethylacridine;2,7-dimethylacridine;2,8-dimethylquinoxaline;6,7-dimethylquinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dimethylacridine;2,6-dimethylacridine;2,7-dimethylacridine;2,9-dimethylacridine;2,9-dimethyl-1,10-phenanthroline;3,8-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;2,3-dimethylquinoxaline;2,6-dimethylquinoxaline;2,8-dimethylquinoxaline;5,8-dimethylquinoxaline;6,7-dimethylquinoxaline;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine
CID 159458035
2,7-dimethylquinoline;3,7-dimethylquinoline;4,7-dimethylquinoline;5,8-dimethylquinoline;6,8-dimethylquinoline;2,6-dimethylquinoxaline;5,8-dimethylquinoxaline;6,7-dimethylquinoxaline
CID 159538435
2,3,7-trimethyl-1,10-phenanthroline;2,3,8-trimethyl-1,10-phenanthroline;2,3,9-trimethyl-1,10-phenanthroline;2,7,8-trimethyl-1,10-phenanthroline;2,3,4-trimethylquinoline;2,3,5-trimethylquinoline;2,3,6-trimethylquinoline;2,3,7-trimethylquinoline;2,3,8-trimethylquinoline;3,4,5-trimethylquinoline;3,4,6-trimethylquinoline;3,4,7-trimethylquinoline;2,3,5-trimethylquinoxaline;2,3,6-trimethylquinoxaline;2,6,7-trimethylquinoxaline;5,6,7-trimethylquinoxaline;5,6,8-trimethylquinoxaline
CID 161372970
9,10-dimethylquinolino[4,3-b]quinoline
CID 621066
1-methylacridine;hydrochloride
CID 175333750
28-methyl-31-azaheptacyclo[25.3.1.12,6.17,11.112,16.117,21.122,26]hexatriaconta-1(31),2,4,6(36),7,9,11(35),12(34),13,15,17(33),18,20,22(32),23,25,27,29-octadecaene
CID 171043793
2,3,6-trimethylacridine;2,3,7-trimethyl-1,10-phenanthroline;2,3,8-trimethyl-1,10-phenanthroline;2,3,9-trimethyl-1,10-phenanthroline;2,7,8-trimethyl-1,10-phenanthroline;3,4,7-trimethyl-1,10-phenanthroline;3,4,8-trimethyl-1,10-phenanthroline
CID 158018927
2,9-dimethylquinolino[2,3-b]acridine
CID 122407796
4-methylisoquinoline;5-methylisoquinoline;1-methylnaphthalene;bis(2-methylnaphthalene);bis(4-methylquinoline);5-methylquinoline;bis(6-methylquinoline)
CID 157141713
2,7-dimethylacridine
CID 14490101
4-methylbenzo[b][1,6]naphthyridine
CID 144676863
11-methylphenanthro[9,10-b]quinoline
CID 14913507

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylacridine;2,3-dimethylacridine;2,6-dimethylacridine;2,7-dimethylacridine;2,8-dimethylquinoxaline;6,7-dimethylquinoxaline?
The IUPAC name of 1,4-dimethylacridine;2,3-dimethylacridine;2,6-dimethylacridine;2,7-dimethylacridine;2,8-dimethylquinoxaline;6,7-dimethylquinoxaline (CID 159403810) is 1,4-dimethylacridine;2,3-dimethylacridine;2,6-dimethylacridine;2,7-dimethylacridine;2,8-dimethylquinoxaline;6,7-dimethylquinoxaline.
What is the SMILES notation for 1,4-dimethylacridine;2,3-dimethylacridine;2,6-dimethylacridine;2,7-dimethylacridine;2,8-dimethylquinoxaline;6,7-dimethylquinoxaline?
The canonical SMILES for 1,4-dimethylacridine;2,3-dimethylacridine;2,6-dimethylacridine;2,7-dimethylacridine;2,8-dimethylquinoxaline;6,7-dimethylquinoxaline is Cc1cc2cc3ccccc3nc2cc1C.Cc1cc2nccnc2cc1C.Cc1ccc(C)c2nc3ccccc3cc12.Cc1ccc2nc3cc(C)ccc3cc2c1.Cc1ccc2nc3ccc(C)cc3cc2c1.Cc1cnc2cccc(C)c2n1.
What is the InChIKey of 1,4-dimethylacridine;2,3-dimethylacridine;2,6-dimethylacridine;2,7-dimethylacridine;2,8-dimethylquinoxaline;6,7-dimethylquinoxaline?
The InChIKey is LNRQZINPARTWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/4C15H13N.2C10H10N2/c1-10-4-6-14-13(7-10)9-12-5-3-11(2)8-15(12)16-14;1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)16-14;1-10-7-13-9-12-5-3-4-6-14(12)16-15(13)8-11(10)2;1-10-7-8-11(2)15-13(10)9-12-5-3-4-6-14(12)16-15;1-7-5-9-10(6-8(7)2)12-4-3-11-9;1-7-4-3-5-9-10(7)12-8(2)6-11-9/h4*3-9H,1-2H3;2*3-6H,1-2H3.
What are the key properties of 1,4-dimethylacridine;2,3-dimethylacridine;2,6-dimethylacridine;2,7-dimethylacridine;2,8-dimethylquinoxaline;6,7-dimethylquinoxaline?
1,4-dimethylacridine;2,3-dimethylacridine;2,6-dimethylacridine;2,7-dimethylacridine;2,8-dimethylquinoxaline;6,7-dimethylquinoxaline has a molecular weight of 1145.51 g/mol, XLogP of 20.51, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylacridine;2,3-dimethylacridine;2,6-dimethylacridine;2,7-dimethylacridine;2,8-dimethylquinoxaline;6,7-dimethylquinoxaline is sourced from PubChem (CID 159403810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).