1,2,9,10-tetramethylbenzo[h]quinolin-1-ium

C17H18N+ — CID 157300516

IUPAC1,2,9,10-tetramethylbenzo[h]quinolin-1-ium
SMILESCc1ccc2ccc3ccc(C)[n+](C)c3c2c1C
InChIInChI=1S/C17H18N/c1-11-5-7-14-9-10-15-8-6-12(2)18(4)17(15)16(14)13(11)3/h5-10H,1-4H3/q+1
InChIKeyADQUGXPRLWWBEG-UHFFFAOYSA-N
MW236.34 g/mol
LogP3.74
Rot. Bonds

About 1,2,9,10-tetramethylbenzo[h]quinolin-1-ium

1,2,9,10-tetramethylbenzo[h]quinolin-1-ium (PubChem CID 157300516) has the molecular formula C17H18N+ and a molecular weight of 236.34 g/mol. Its IUPAC name is 1,2,9,10-tetramethylbenzo[h]quinolin-1-ium.

Molecular Properties

Compound Name1,2,9,10-tetramethylbenzo[h]quinolin-1-ium
PubChem CID157300516
Molecular FormulaC17H18N+
Molecular Weight236.34 g/mol
Exact Mass236.14
IUPAC Name1,2,9,10-tetramethylbenzo[h]quinolin-1-ium
SMILESCc1ccc2ccc3ccc(C)[n+](C)c3c2c1C
InChIInChI=1S/C17H18N/c1-11-5-7-14-9-10-15-8-6-12(2)18(4)17(15)16(14)13(11)3/h5-10H,1-4H3/q+1
InChIKeyADQUGXPRLWWBEG-UHFFFAOYSA-N
XLogP3.74
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,9,10-tetramethylbenzo[h]quinolin-1-ium?
The IUPAC name of 1,2,9,10-tetramethylbenzo[h]quinolin-1-ium (CID 157300516) is 1,2,9,10-tetramethylbenzo[h]quinolin-1-ium.
What is the SMILES notation for 1,2,9,10-tetramethylbenzo[h]quinolin-1-ium?
The canonical SMILES for 1,2,9,10-tetramethylbenzo[h]quinolin-1-ium is Cc1ccc2ccc3ccc(C)[n+](C)c3c2c1C.
What is the InChIKey of 1,2,9,10-tetramethylbenzo[h]quinolin-1-ium?
The InChIKey is ADQUGXPRLWWBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N/c1-11-5-7-14-9-10-15-8-6-12(2)18(4)17(15)16(14)13(11)3/h5-10H,1-4H3/q+1.
What are the key properties of 1,2,9,10-tetramethylbenzo[h]quinolin-1-ium?
1,2,9,10-tetramethylbenzo[h]quinolin-1-ium has a molecular weight of 236.34 g/mol, XLogP of 3.74, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,9,10-tetramethylbenzo[h]quinolin-1-ium is sourced from PubChem (CID 157300516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).