3,5-dimethyl-4-(2,2,4,4-tetramethyl-3-methylidene-1,7,8,9-tetrahydrocyclopenta[h]quinolin-6-yl)-1,2-oxazole

C22H28N2O — CID 59233373

IUPAC3,5-dimethyl-4-(2,2,4,4-tetramethyl-3-methylidene-1,7,8,9-tetrahydrocyclopenta[h]quinolin-6-yl)-1,2-oxazole
SMILESC=C1C(C)(C)Nc2c(cc(-c3c(C)noc3C)c3c2CCC3)C1(C)C
InChIInChI=1S/C22H28N2O/c1-12-19(13(2)25-24-12)17-11-18-20(16-10-8-9-15(16)17)23-22(6,7)14(3)21(18,4)5/h11,23H,3,8-10H2,1-2,4-7H3
InChIKeyZEHOIJGVNHZVCT-UHFFFAOYSA-N
MW336.48 g/mol
LogP5.49
Rot. Bonds1

About 3,5-dimethyl-4-(2,2,4,4-tetramethyl-3-methylidene-1,7,8,9-tetrahydrocyclopenta[h]quinolin-6-yl)-1,2-oxazole

3,5-dimethyl-4-(2,2,4,4-tetramethyl-3-methylidene-1,7,8,9-tetrahydrocyclopenta[h]quinolin-6-yl)-1,2-oxazole (PubChem CID 59233373) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 3,5-dimethyl-4-(2,2,4,4-tetramethyl-3-methylidene-1,7,8,9-tetrahydrocyclopenta[h]quinolin-6-yl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(2,2,4,4-tetramethyl-3-methylidene-1,7,8,9-tetrahydrocyclopenta[h]quinolin-6-yl)-1,2-oxazole
PubChem CID59233373
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name3,5-dimethyl-4-(2,2,4,4-tetramethyl-3-methylidene-1,7,8,9-tetrahydrocyclopenta[h]quinolin-6-yl)-1,2-oxazole
SMILESC=C1C(C)(C)Nc2c(cc(-c3c(C)noc3C)c3c2CCC3)C1(C)C
InChIInChI=1S/C22H28N2O/c1-12-19(13(2)25-24-12)17-11-18-20(16-10-8-9-15(16)17)23-22(6,7)14(3)21(18,4)5/h11,23H,3,8-10H2,1-2,4-7H3
InChIKeyZEHOIJGVNHZVCT-UHFFFAOYSA-N
XLogP5.49
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(2,2,4,4-tetramethyl-3-methylidene-1,7,8,9-tetrahydrocyclopenta[h]quinolin-6-yl)-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-(2,2,4,4-tetramethyl-3-methylidene-1,7,8,9-tetrahydrocyclopenta[h]quinolin-6-yl)-1,2-oxazole (CID 59233373) is 3,5-dimethyl-4-(2,2,4,4-tetramethyl-3-methylidene-1,7,8,9-tetrahydrocyclopenta[h]quinolin-6-yl)-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-(2,2,4,4-tetramethyl-3-methylidene-1,7,8,9-tetrahydrocyclopenta[h]quinolin-6-yl)-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-(2,2,4,4-tetramethyl-3-methylidene-1,7,8,9-tetrahydrocyclopenta[h]quinolin-6-yl)-1,2-oxazole is C=C1C(C)(C)Nc2c(cc(-c3c(C)noc3C)c3c2CCC3)C1(C)C.
What is the InChIKey of 3,5-dimethyl-4-(2,2,4,4-tetramethyl-3-methylidene-1,7,8,9-tetrahydrocyclopenta[h]quinolin-6-yl)-1,2-oxazole?
The InChIKey is ZEHOIJGVNHZVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-12-19(13(2)25-24-12)17-11-18-20(16-10-8-9-15(16)17)23-22(6,7)14(3)21(18,4)5/h11,23H,3,8-10H2,1-2,4-7H3.
What are the key properties of 3,5-dimethyl-4-(2,2,4,4-tetramethyl-3-methylidene-1,7,8,9-tetrahydrocyclopenta[h]quinolin-6-yl)-1,2-oxazole?
3,5-dimethyl-4-(2,2,4,4-tetramethyl-3-methylidene-1,7,8,9-tetrahydrocyclopenta[h]quinolin-6-yl)-1,2-oxazole has a molecular weight of 336.48 g/mol, XLogP of 5.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(2,2,4,4-tetramethyl-3-methylidene-1,7,8,9-tetrahydrocyclopenta[h]quinolin-6-yl)-1,2-oxazole is sourced from PubChem (CID 59233373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).