methane;3-methylbenzo[c]cinnoline

C16H22N2 — CID 157102255

IUPACmethane;3-methylbenzo[c]cinnoline
SMILESC.C.C.Cc1ccc2c(c1)nnc1ccccc12
InChIInChI=1S/C13H10N2.3CH4/c1-9-6-7-11-10-4-2-3-5-12(10)14-15-13(11)8-9;;;/h2-8H,1H3;3*1H4
InChIKeyAFWYJFBZDWRZOO-UHFFFAOYSA-N
MW242.37 g/mol
LogP5.00
Rot. Bonds

About methane;3-methylbenzo[c]cinnoline

methane;3-methylbenzo[c]cinnoline (PubChem CID 157102255) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is methane;3-methylbenzo[c]cinnoline.

Molecular Properties

Compound Namemethane;3-methylbenzo[c]cinnoline
PubChem CID157102255
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Namemethane;3-methylbenzo[c]cinnoline
SMILESC.C.C.Cc1ccc2c(c1)nnc1ccccc12
InChIInChI=1S/C13H10N2.3CH4/c1-9-6-7-11-10-4-2-3-5-12(10)14-15-13(11)8-9;;;/h2-8H,1H3;3*1H4
InChIKeyAFWYJFBZDWRZOO-UHFFFAOYSA-N
XLogP5.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,9-dimethylbenzo[c]cinnoline
CID 14472808
2,7-dimethyltriphenylene
CID 23261750
benzo[c]cinnoline-3-carbonitrile
CID 169092864
3-(dibromomethyl)benzo[c]cinnoline
CID 172651770
ethane;2-methyltriphenylene
CID 91569125
11-methylphenanthro[9,10-b]quinoline
CID 14913507
9-methylphenanthridine
CID 10987123
4,7-dimethylcinnoline
CID 59539244
azane;3,4-dimethylcinnoline
CID 174582634
7-methylheptacyclo[12.6.6.64,11.05,10.015,20.021,26.027,32]dotriaconta-1(20),4,6,8,10,14,16,18,21,23,25,27,29,31-tetradecaene
CID 20825162
3-(4-propylphenyl)benzo[c]cinnoline
CID 171776982
2,9,10-trimethylphenanthrene
CID 11345039

Frequently Asked Questions

What is the IUPAC name of methane;3-methylbenzo[c]cinnoline?
The IUPAC name of methane;3-methylbenzo[c]cinnoline (CID 157102255) is methane;3-methylbenzo[c]cinnoline.
What is the SMILES notation for methane;3-methylbenzo[c]cinnoline?
The canonical SMILES for methane;3-methylbenzo[c]cinnoline is C.C.C.Cc1ccc2c(c1)nnc1ccccc12.
What is the InChIKey of methane;3-methylbenzo[c]cinnoline?
The InChIKey is AFWYJFBZDWRZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2.3CH4/c1-9-6-7-11-10-4-2-3-5-12(10)14-15-13(11)8-9;;;/h2-8H,1H3;3*1H4.
What are the key properties of methane;3-methylbenzo[c]cinnoline?
methane;3-methylbenzo[c]cinnoline has a molecular weight of 242.37 g/mol, XLogP of 5.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-methylbenzo[c]cinnoline is sourced from PubChem (CID 157102255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).