2,9-dimethylquinolino[2,3-b]acridine

C22H16N2 — CID 122407796

IUPAC2,9-dimethylquinolino[2,3-b]acridine
SMILESCc1ccc2nc3cc4cc5cc(C)ccc5nc4cc3cc2c1
InChIInChI=1S/C22H16N2/c1-13-3-5-19-15(7-13)9-17-11-22-18(12-21(17)23-19)10-16-8-14(2)4-6-20(16)24-22/h3-12H,1-2H3
InChIKeyQCTNQOVVHNKGND-UHFFFAOYSA-N
MW308.38 g/mol
LogP5.71
Rot. Bonds

About 2,9-dimethylquinolino[2,3-b]acridine

2,9-dimethylquinolino[2,3-b]acridine (PubChem CID 122407796) has the molecular formula C22H16N2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2,9-dimethylquinolino[2,3-b]acridine.

Molecular Properties

Compound Name2,9-dimethylquinolino[2,3-b]acridine
PubChem CID122407796
Molecular FormulaC22H16N2
Molecular Weight308.38 g/mol
Exact Mass308.13
IUPAC Name2,9-dimethylquinolino[2,3-b]acridine
SMILESCc1ccc2nc3cc4cc5cc(C)ccc5nc4cc3cc2c1
InChIInChI=1S/C22H16N2/c1-13-3-5-19-15(7-13)9-17-11-22-18(12-21(17)23-19)10-16-8-14(2)4-6-20(16)24-22/h3-12H,1-2H3
InChIKeyQCTNQOVVHNKGND-UHFFFAOYSA-N
XLogP5.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.38
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,7-dimethylacridine
CID 14490101
N,3,6-trimethylquinolin-2-amine
CID 63231556
2-chloro-6-methylquinolin-3-ol
CID 117246619
7-methylpyrano[2,3-b]quinolin-2-one
CID 10398229
2,9-dimethylpentacene
CID 11460950
3,6-dimethyl-2-(3,4,5-trimethylphenyl)quinoline
CID 58871253
6-methylcinnolin-3-amine
CID 142584156
iodomethane;2-iodo-6-methylquinoline
CID 87637149
3-fluoro-6-methyl-2-propan-2-ylquinoline
CID 138719468
2,6-dimethylnaphthalene;propane
CID 142191183
benzo[b]acridine
CID 6451416
2-chloro-3-ethynyl-6-methylquinoline
CID 139193313

Frequently Asked Questions

What is the IUPAC name of 2,9-dimethylquinolino[2,3-b]acridine?
The IUPAC name of 2,9-dimethylquinolino[2,3-b]acridine (CID 122407796) is 2,9-dimethylquinolino[2,3-b]acridine.
What is the SMILES notation for 2,9-dimethylquinolino[2,3-b]acridine?
The canonical SMILES for 2,9-dimethylquinolino[2,3-b]acridine is Cc1ccc2nc3cc4cc5cc(C)ccc5nc4cc3cc2c1.
What is the InChIKey of 2,9-dimethylquinolino[2,3-b]acridine?
The InChIKey is QCTNQOVVHNKGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2/c1-13-3-5-19-15(7-13)9-17-11-22-18(12-21(17)23-19)10-16-8-14(2)4-6-20(16)24-22/h3-12H,1-2H3.
What are the key properties of 2,9-dimethylquinolino[2,3-b]acridine?
2,9-dimethylquinolino[2,3-b]acridine has a molecular weight of 308.38 g/mol, XLogP of 5.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethylquinolino[2,3-b]acridine is sourced from PubChem (CID 122407796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).