3-ethenyl-4-methyl-2-(2-methylphenyl)benzo[h]quinoline

C23H19N — CID 166657802

IUPAC3-ethenyl-4-methyl-2-(2-methylphenyl)benzo[h]quinoline
SMILESC=Cc1c(-c2ccccc2C)nc2c(ccc3ccccc32)c1C
InChIInChI=1S/C23H19N/c1-4-18-16(3)20-14-13-17-10-6-8-12-21(17)23(20)24-22(18)19-11-7-5-9-15(19)2/h4-14H,1H2,2-3H3
InChIKeyQILFLXPNRRAWCW-UHFFFAOYSA-N
MW309.41 g/mol
LogP6.31
Rot. Bonds2

About 3-ethenyl-4-methyl-2-(2-methylphenyl)benzo[h]quinoline

3-ethenyl-4-methyl-2-(2-methylphenyl)benzo[h]quinoline (PubChem CID 166657802) has the molecular formula C23H19N and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-ethenyl-4-methyl-2-(2-methylphenyl)benzo[h]quinoline.

Molecular Properties

Compound Name3-ethenyl-4-methyl-2-(2-methylphenyl)benzo[h]quinoline
PubChem CID166657802
Molecular FormulaC23H19N
Molecular Weight309.41 g/mol
Exact Mass309.15
IUPAC Name3-ethenyl-4-methyl-2-(2-methylphenyl)benzo[h]quinoline
SMILESC=Cc1c(-c2ccccc2C)nc2c(ccc3ccccc32)c1C
InChIInChI=1S/C23H19N/c1-4-18-16(3)20-14-13-17-10-6-8-12-21(17)23(20)24-22(18)19-11-7-5-9-15(19)2/h4-14H,1H2,2-3H3
InChIKeyQILFLXPNRRAWCW-UHFFFAOYSA-N
XLogP6.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.41
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethenyl-2-methylphenanthrene
CID 18927842
2,4-di(dibenzofuran-4-yl)-5-ethenyl-6-(2-methylphenyl)pyrimidine
CID 175626911
9-ethenyl-10-methylphenanthrene
CID 123648763
2,6-dimethyl-3-(2-methylphenyl)-5-naphthalen-1-ylpyrazine
CID 145390440
1-(2,3-dimethylphenyl)phenanthrene
CID 175838627
2-methyl-1-(2-methylphenyl)naphthalene
CID 14204979
methane;1-methylphenanthrene
CID 175001905
2-methylnaphthalene-1-carbaldehyde;sulfane
CID 157328712
CID 174952832
CID 174952832
2,3-bis(ethenyl)-1,4,5-trimethylnaphthalene
CID 143715386
ethane;2-(2-methylphenyl)-1-[2-(2-methylphenyl)naphthalen-1-yl]naphthalene
CID 91083814
4-methylbenzo[h]quinolin-2-amine
CID 12820957

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-4-methyl-2-(2-methylphenyl)benzo[h]quinoline?
The IUPAC name of 3-ethenyl-4-methyl-2-(2-methylphenyl)benzo[h]quinoline (CID 166657802) is 3-ethenyl-4-methyl-2-(2-methylphenyl)benzo[h]quinoline.
What is the SMILES notation for 3-ethenyl-4-methyl-2-(2-methylphenyl)benzo[h]quinoline?
The canonical SMILES for 3-ethenyl-4-methyl-2-(2-methylphenyl)benzo[h]quinoline is C=Cc1c(-c2ccccc2C)nc2c(ccc3ccccc32)c1C.
What is the InChIKey of 3-ethenyl-4-methyl-2-(2-methylphenyl)benzo[h]quinoline?
The InChIKey is QILFLXPNRRAWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N/c1-4-18-16(3)20-14-13-17-10-6-8-12-21(17)23(20)24-22(18)19-11-7-5-9-15(19)2/h4-14H,1H2,2-3H3.
What are the key properties of 3-ethenyl-4-methyl-2-(2-methylphenyl)benzo[h]quinoline?
3-ethenyl-4-methyl-2-(2-methylphenyl)benzo[h]quinoline has a molecular weight of 309.41 g/mol, XLogP of 6.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4-methyl-2-(2-methylphenyl)benzo[h]quinoline is sourced from PubChem (CID 166657802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).