1-methylbenzo[h]isoquinoline;1-methylindazole

C22H19N3 — CID 143194474

IUPAC1-methylbenzo[h]isoquinoline;1-methylindazole
SMILESCc1nccc2ccc3ccccc3c12.Cn1ncc2ccccc21
InChIInChI=1S/C14H11N.C8H8N2/c1-10-14-12(8-9-15-10)7-6-11-4-2-3-5-13(11)14;1-10-8-5-3-2-4-7(8)6-9-10/h2-9H,1H3;2-6H,1H3
InChIKeyWNECTXUWVUWMNM-UHFFFAOYSA-N
MW325.42 g/mol
LogP5.27
Rot. Bonds

About 1-methylbenzo[h]isoquinoline;1-methylindazole

1-methylbenzo[h]isoquinoline;1-methylindazole (PubChem CID 143194474) has the molecular formula C22H19N3 and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-methylbenzo[h]isoquinoline;1-methylindazole.

Molecular Properties

Compound Name1-methylbenzo[h]isoquinoline;1-methylindazole
PubChem CID143194474
Molecular FormulaC22H19N3
Molecular Weight325.42 g/mol
Exact Mass325.16
IUPAC Name1-methylbenzo[h]isoquinoline;1-methylindazole
SMILESCc1nccc2ccc3ccccc3c12.Cn1ncc2ccccc21
InChIInChI=1S/C14H11N.C8H8N2/c1-10-14-12(8-9-15-10)7-6-11-4-2-3-5-13(11)14;1-10-8-5-3-2-4-7(8)6-9-10/h2-9H,1H3;2-6H,1H3
InChIKeyWNECTXUWVUWMNM-UHFFFAOYSA-N
XLogP5.27
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.42
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-methylbenzo[h]isoquinoline;1-methylindazole 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

ethane;methane;1-methylindazole
CID 142166782
1,10-dimethyl-2,9-phenanthroline
CID 118895257
(2-methylphthalazin-1-ylidene)hydrazine
CID 71371097
9-(5-carbazol-9-yl-1-methylindazol-6-yl)carbazole
CID 163427007
1-methylpyrazolo[5,4-c]pyridine
CID 59421465
1-methylisoquinolin-8-ol
CID 135556685
formic acid;1-methylisoquinoline
CID 175196109
1-(1-methylimidazol-2-yl)isoquinoline
CID 69469686
1-(4-chlorobutyl)indazole
CID 62140548
15,16,21-triazahexacyclo[12.11.0.02,11.03,8.015,19.020,25]pentacosa-1(14),2(11),3,5,7,9,12,16,18,20(25),21,23-dodecaene
CID 140950033
7-(1-methylindazol-6-yl)isoquinoline
CID 166387565
1-(4-methyl-2-pyridinyl)indazole
CID 58206221

Frequently Asked Questions

What is the IUPAC name of 1-methylbenzo[h]isoquinoline;1-methylindazole?
The IUPAC name of 1-methylbenzo[h]isoquinoline;1-methylindazole (CID 143194474) is 1-methylbenzo[h]isoquinoline;1-methylindazole.
What is the SMILES notation for 1-methylbenzo[h]isoquinoline;1-methylindazole?
The canonical SMILES for 1-methylbenzo[h]isoquinoline;1-methylindazole is Cc1nccc2ccc3ccccc3c12.Cn1ncc2ccccc21.
What is the InChIKey of 1-methylbenzo[h]isoquinoline;1-methylindazole?
The InChIKey is WNECTXUWVUWMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N.C8H8N2/c1-10-14-12(8-9-15-10)7-6-11-4-2-3-5-13(11)14;1-10-8-5-3-2-4-7(8)6-9-10/h2-9H,1H3;2-6H,1H3.
What are the key properties of 1-methylbenzo[h]isoquinoline;1-methylindazole?
1-methylbenzo[h]isoquinoline;1-methylindazole has a molecular weight of 325.42 g/mol, XLogP of 5.27, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylbenzo[h]isoquinoline;1-methylindazole is sourced from PubChem (CID 143194474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).