2,9,9,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)acridine

C23H25N2+ — CID 140839461

IUPAC2,9,9,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)acridine
SMILESCc1cc2c(cc1-c1cccc[n+]1C)N(C)c1ccccc1C2(C)C
InChIInChI=1S/C23H25N2/c1-16-14-19-22(15-17(16)20-11-8-9-13-24(20)4)25(5)21-12-7-6-10-18(21)23(19,2)3/h6-15H,1-5H3/q+1
InChIKeyKOZFXPMMCQWXAK-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.89
Rot. Bonds1

About 2,9,9,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)acridine

2,9,9,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)acridine (PubChem CID 140839461) has the molecular formula C23H25N2+ and a molecular weight of 329.47 g/mol. Its IUPAC name is 2,9,9,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)acridine.

Molecular Properties

Compound Name2,9,9,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)acridine
PubChem CID140839461
Molecular FormulaC23H25N2+
Molecular Weight329.47 g/mol
Exact Mass329.20
IUPAC Name2,9,9,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)acridine
SMILESCc1cc2c(cc1-c1cccc[n+]1C)N(C)c1ccccc1C2(C)C
InChIInChI=1S/C23H25N2/c1-16-14-19-22(15-17(16)20-11-8-9-13-24(20)4)25(5)21-12-7-6-10-18(21)23(19,2)3/h6-15H,1-5H3/q+1
InChIKeyKOZFXPMMCQWXAK-UHFFFAOYSA-N
XLogP4.89
TPSA7.12 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-(3,9,9-trimethylfluoren-2-yl)pyridin-1-ium
CID 59306168
3,10-dimethyl-2-(1-methylpyridin-1-ium-2-yl)phenoxazine
CID 140839426
1-methyl-2-(1,5,8,9,9,10,10,11,11-nonamethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyridin-1-ium
CID 140720316
2,5,10,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)benzo[b][1,4]benzazasiline
CID 140839568
9,9,10-trimethyl-2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]acridine
CID 166052158
9,9,10-trimethylacridine
CID 610451
3-[3-fluoro-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]-9,9,10-trimethylacridine
CID 166051128
1-methyl-2-(2,9,9-trimethyl-8-propan-2-ylfluoren-3-yl)pyridin-1-ium
CID 162062988
2,5,10-trimethyl-3-(1-methylpyrazin-1-ium-2-yl)phenazine
CID 140839543
1-methyl-2-(3,3,6-trimethyl-1,2-dihydroinden-5-yl)pyridin-1-ium
CID 170685494
1-methyl-2-(3,9,9-trimethyl-6-propan-2-ylfluoren-2-yl)pyridin-1-ium
CID 157243436
10,10,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1(13),2,4,6,8,11,16,18,20-nonaene
CID 58184992

Frequently Asked Questions

What is the IUPAC name of 2,9,9,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)acridine?
The IUPAC name of 2,9,9,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)acridine (CID 140839461) is 2,9,9,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)acridine.
What is the SMILES notation for 2,9,9,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)acridine?
The canonical SMILES for 2,9,9,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)acridine is Cc1cc2c(cc1-c1cccc[n+]1C)N(C)c1ccccc1C2(C)C.
What is the InChIKey of 2,9,9,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)acridine?
The InChIKey is KOZFXPMMCQWXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N2/c1-16-14-19-22(15-17(16)20-11-8-9-13-24(20)4)25(5)21-12-7-6-10-18(21)23(19,2)3/h6-15H,1-5H3/q+1.
What are the key properties of 2,9,9,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)acridine?
2,9,9,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)acridine has a molecular weight of 329.47 g/mol, XLogP of 4.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9,9,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)acridine is sourced from PubChem (CID 140839461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).