6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4-trimethyl-4-prop-2-enyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one

C23H28N2O2 — CID 24962502

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4-trimethyl-4-prop-2-enyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one
SMILESC=CCC1(C)C(=O)C(C)(C)Nc2c1cc(-c1c(C)noc1C)c1c2CCC1
InChIInChI=1S/C23H28N2O2/c1-7-11-23(6)18-12-17(19-13(2)25-27-14(19)3)15-9-8-10-16(15)20(18)24-22(4,5)21(23)26/h7,12,24H,1,8-11H2,2-6H3
InChIKeyOXSCZQRSSHKHSU-UHFFFAOYSA-N
MW364.49 g/mol
LogP5.05
Rot. Bonds3

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4-trimethyl-4-prop-2-enyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one

6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4-trimethyl-4-prop-2-enyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one (PubChem CID 24962502) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4-trimethyl-4-prop-2-enyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4-trimethyl-4-prop-2-enyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one
PubChem CID24962502
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4-trimethyl-4-prop-2-enyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one
SMILESC=CCC1(C)C(=O)C(C)(C)Nc2c1cc(-c1c(C)noc1C)c1c2CCC1
InChIInChI=1S/C23H28N2O2/c1-7-11-23(6)18-12-17(19-13(2)25-27-14(19)3)15-9-8-10-16(15)20(18)24-22(4,5)21(23)26/h7,12,24H,1,8-11H2,2-6H3
InChIKeyOXSCZQRSSHKHSU-UHFFFAOYSA-N
XLogP5.05
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4-trimethyl-4-prop-2-enyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4-trimethyl-4-prop-2-enyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one (CID 24962502) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4-trimethyl-4-prop-2-enyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4-trimethyl-4-prop-2-enyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4-trimethyl-4-prop-2-enyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one is C=CCC1(C)C(=O)C(C)(C)Nc2c1cc(-c1c(C)noc1C)c1c2CCC1.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4-trimethyl-4-prop-2-enyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one?
The InChIKey is OXSCZQRSSHKHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-7-11-23(6)18-12-17(19-13(2)25-27-14(19)3)15-9-8-10-16(15)20(18)24-22(4,5)21(23)26/h7,12,24H,1,8-11H2,2-6H3.
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4-trimethyl-4-prop-2-enyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4-trimethyl-4-prop-2-enyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one has a molecular weight of 364.49 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4-trimethyl-4-prop-2-enyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one is sourced from PubChem (CID 24962502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).