6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-8,9-dihydro-1H-cyclopenta[h]quinoline-3,7-dione

C21H24N2O3 — CID 59233374

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-8,9-dihydro-1H-cyclopenta[h]quinoline-3,7-dione
SMILESCc1noc(C)c1-c1cc2c(c3c1C(=O)CC3)NC(C)(C)C(=O)C2(C)C
InChIInChI=1S/C21H24N2O3/c1-10-16(11(2)26-23-10)13-9-14-18(12-7-8-15(24)17(12)13)22-21(5,6)19(25)20(14,3)4/h9,22H,7-8H2,1-6H3
InChIKeyDULRQDZHAPPFAN-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.14
Rot. Bonds1

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-8,9-dihydro-1H-cyclopenta[h]quinoline-3,7-dione

6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-8,9-dihydro-1H-cyclopenta[h]quinoline-3,7-dione (PubChem CID 59233374) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-8,9-dihydro-1H-cyclopenta[h]quinoline-3,7-dione.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-8,9-dihydro-1H-cyclopenta[h]quinoline-3,7-dione
PubChem CID59233374
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-8,9-dihydro-1H-cyclopenta[h]quinoline-3,7-dione
SMILESCc1noc(C)c1-c1cc2c(c3c1C(=O)CC3)NC(C)(C)C(=O)C2(C)C
InChIInChI=1S/C21H24N2O3/c1-10-16(11(2)26-23-10)13-9-14-18(12-7-8-15(24)17(12)13)22-21(5,6)19(25)20(14,3)4/h9,22H,7-8H2,1-6H3
InChIKeyDULRQDZHAPPFAN-UHFFFAOYSA-N
XLogP4.14
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-8,9-dihydro-1H-cyclopenta[h]quinoline-3,7-dione?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-8,9-dihydro-1H-cyclopenta[h]quinoline-3,7-dione (CID 59233374) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-8,9-dihydro-1H-cyclopenta[h]quinoline-3,7-dione.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-8,9-dihydro-1H-cyclopenta[h]quinoline-3,7-dione?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-8,9-dihydro-1H-cyclopenta[h]quinoline-3,7-dione is Cc1noc(C)c1-c1cc2c(c3c1C(=O)CC3)NC(C)(C)C(=O)C2(C)C.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-8,9-dihydro-1H-cyclopenta[h]quinoline-3,7-dione?
The InChIKey is DULRQDZHAPPFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-10-16(11(2)26-23-10)13-9-14-18(12-7-8-15(24)17(12)13)22-21(5,6)19(25)20(14,3)4/h9,22H,7-8H2,1-6H3.
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-8,9-dihydro-1H-cyclopenta[h]quinoline-3,7-dione?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-8,9-dihydro-1H-cyclopenta[h]quinoline-3,7-dione has a molecular weight of 352.43 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-8,9-dihydro-1H-cyclopenta[h]quinoline-3,7-dione is sourced from PubChem (CID 59233374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).