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

C21H26N2O2 — CID 24860583

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one
SMILESCc1noc(C)c1-c1cc2c(c3c1CCC3)NC(C)(C)C(=O)C2(C)C
InChIInChI=1S/C21H26N2O2/c1-11-17(12(2)25-23-11)15-10-16-18(14-9-7-8-13(14)15)22-21(5,6)19(24)20(16,3)4/h10,22H,7-9H2,1-6H3
InChIKeyYCRPDBNNDVYMBL-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.50
Rot. Bonds1

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

6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one (PubChem CID 24860583) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one
PubChem CID24860583
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one
SMILESCc1noc(C)c1-c1cc2c(c3c1CCC3)NC(C)(C)C(=O)C2(C)C
InChIInChI=1S/C21H26N2O2/c1-11-17(12(2)25-23-11)15-10-16-18(14-9-7-8-13(14)15)22-21(5,6)19(24)20(16,3)4/h10,22H,7-9H2,1-6H3
InChIKeyYCRPDBNNDVYMBL-UHFFFAOYSA-N
XLogP4.50
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one with MolForge

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Related Compounds

6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-1H-quinolin-3-one
CID 122179356
7-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-1H-quinolin-3-one
CID 122179357
6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-3-one
CID 122179359
4-(7-fluoro-4,4,9b-trimethyl-2,3,3a,5-tetrahydro-1H-cyclopenta[c]quinolin-8-yl)-3,5-dimethyl-1,2-oxazole
CID 140130793
8-(3,5-Dimethyl-1,2-oxazol-4-yl)-7-fluoro-4,4,9b-trimethyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-3a-ol
CID 140130860
5-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,8-tetramethyl-4-(3-methylbut-2-enyl)-1H-quinolin-3-one
CID 11531445
6-[3-(Hydroxymethyl)-5-methyl-1,2-oxazol-4-yl]-2,2,4,4-tetramethyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one
CID 24961414
6-(3-Amino-5-methyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one
CID 24961415
6-[3-(Dimethylamino)-5-methyl-1,2-oxazol-4-yl]-2,2,4,4-tetramethyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one
CID 24961416
2,2,4,4-Tetramethyl-6-[5-methyl-3-(methylamino)-1,2-oxazol-4-yl]-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one
CID 24961776
6-[3-(Ethylamino)-5-methyl-1,2-oxazol-4-yl]-2,2,4,4-tetramethyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one
CID 24961777
5-Methyl-4-(2,2,4,4-tetramethyl-3-oxo-1,7,8,9-tetrahydrocyclopenta[h]quinolin-6-yl)-1,2-oxazole-3-carbonitrile
CID 24961778

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one (CID 24860583) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one is Cc1noc(C)c1-c1cc2c(c3c1CCC3)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-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one?
The InChIKey is YCRPDBNNDVYMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-11-17(12(2)25-23-11)15-10-16-18(14-9-7-8-13(14)15)22-21(5,6)19(24)20(16,3)4/h10,22H,7-9H2,1-6H3.
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one has a molecular weight of 338.45 g/mol, XLogP of 4.50, 1 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)-2,2,4,4-tetramethyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one is sourced from PubChem (CID 24860583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).