10-(4-methylphenyl)-6H-pyrido[2,1-a]isoindol-5-ium

C19H16N+ — CID 162209498

IUPAC10-(4-methylphenyl)-6H-pyrido[2,1-a]isoindol-5-ium
SMILESCc1ccc(-c2cccc3c2-c2cccc[n+]2C3)cc1
InChIInChI=1S/C19H16N/c1-14-8-10-15(11-9-14)17-6-4-5-16-13-20-12-3-2-7-18(20)19(16)17/h2-12H,13H2,1H3/q+1
InChIKeyDAZDCJPTBJRARK-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.98
Rot. Bonds1

About 10-(4-methylphenyl)-6H-pyrido[2,1-a]isoindol-5-ium

10-(4-methylphenyl)-6H-pyrido[2,1-a]isoindol-5-ium (PubChem CID 162209498) has the molecular formula C19H16N+ and a molecular weight of 258.34 g/mol. Its IUPAC name is 10-(4-methylphenyl)-6H-pyrido[2,1-a]isoindol-5-ium.

Molecular Properties

Compound Name10-(4-methylphenyl)-6H-pyrido[2,1-a]isoindol-5-ium
PubChem CID162209498
Molecular FormulaC19H16N+
Molecular Weight258.34 g/mol
Exact Mass258.13
IUPAC Name10-(4-methylphenyl)-6H-pyrido[2,1-a]isoindol-5-ium
SMILESCc1ccc(-c2cccc3c2-c2cccc[n+]2C3)cc1
InChIInChI=1S/C19H16N/c1-14-8-10-15(11-9-14)17-6-4-5-16-13-20-12-3-2-7-18(20)19(16)17/h2-12H,13H2,1H3/q+1
InChIKeyDAZDCJPTBJRARK-UHFFFAOYSA-N
XLogP3.98
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

8-phenyl-6H-pyrido[2,1-a]isoindol-5-ium
CID 143096562
spiro[7,20-diazoniapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene-8,6'-pyrido[2,1-a]isoindol-5-ium]
CID 142955188
1-methyl-2-(2-methylphenyl)-3-(4-methylphenyl)benzene
CID 144785199
4-(4-methylphenyl)-9H-thioxanthene
CID 170229456
2,3-bis(4-methylphenyl)phenol
CID 175749747
6-methyl-8-(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)-6H-pyrido[2,1-a]isoindol-5-ium
CID 59087655
1,4-bis(4-methylphenyl)-2,3-diphenylbenzene
CID 123305097
2-(4-methylphenyl)-1-oxidopyridin-1-ium
CID 3799488
bis(4-methylphenyl)-bis(2-methyl-7-phenyl-3H-inden-1-yl)silane
CID 87864949
1-cyclobutyl-2-(2-methylphenyl)-3-(4-methylphenyl)benzene
CID 156827095
2-methyl-1-[2-methyl-3-(4-methylphenyl)phenyl]-3-(4-methylphenyl)benzene
CID 157107498
1,2-bis(4-methylphenyl)-3-propylbenzene
CID 173306063

Frequently Asked Questions

What is the IUPAC name of 10-(4-methylphenyl)-6H-pyrido[2,1-a]isoindol-5-ium?
The IUPAC name of 10-(4-methylphenyl)-6H-pyrido[2,1-a]isoindol-5-ium (CID 162209498) is 10-(4-methylphenyl)-6H-pyrido[2,1-a]isoindol-5-ium.
What is the SMILES notation for 10-(4-methylphenyl)-6H-pyrido[2,1-a]isoindol-5-ium?
The canonical SMILES for 10-(4-methylphenyl)-6H-pyrido[2,1-a]isoindol-5-ium is Cc1ccc(-c2cccc3c2-c2cccc[n+]2C3)cc1.
What is the InChIKey of 10-(4-methylphenyl)-6H-pyrido[2,1-a]isoindol-5-ium?
The InChIKey is DAZDCJPTBJRARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N/c1-14-8-10-15(11-9-14)17-6-4-5-16-13-20-12-3-2-7-18(20)19(16)17/h2-12H,13H2,1H3/q+1.
What are the key properties of 10-(4-methylphenyl)-6H-pyrido[2,1-a]isoindol-5-ium?
10-(4-methylphenyl)-6H-pyrido[2,1-a]isoindol-5-ium has a molecular weight of 258.34 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-methylphenyl)-6H-pyrido[2,1-a]isoindol-5-ium is sourced from PubChem (CID 162209498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).