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

C21H26N2O3 — CID 24961414

IUPAC6-[3-(hydroxymethyl)-5-methyl-1,2-oxazol-4-yl]-2,2,4,4-tetramethyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one
SMILESCc1onc(CO)c1-c1cc2c(c3c1CCC3)NC(C)(C)C(=O)C2(C)C
InChIInChI=1S/C21H26N2O3/c1-11-17(16(10-24)23-26-11)14-9-15-18(13-8-6-7-12(13)14)22-21(4,5)19(25)20(15,2)3/h9,22,24H,6-8,10H2,1-5H3
InChIKeyUBPGDKKVBUBBPG-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.68
Rot. Bonds2

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

6-[3-(hydroxymethyl)-5-methyl-1,2-oxazol-4-yl]-2,2,4,4-tetramethyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one (PubChem CID 24961414) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 6-[3-(hydroxymethyl)-5-methyl-1,2-oxazol-4-yl]-2,2,4,4-tetramethyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one.

Molecular Properties

Compound Name6-[3-(hydroxymethyl)-5-methyl-1,2-oxazol-4-yl]-2,2,4,4-tetramethyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one
PubChem CID24961414
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name6-[3-(hydroxymethyl)-5-methyl-1,2-oxazol-4-yl]-2,2,4,4-tetramethyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one
SMILESCc1onc(CO)c1-c1cc2c(c3c1CCC3)NC(C)(C)C(=O)C2(C)C
InChIInChI=1S/C21H26N2O3/c1-11-17(16(10-24)23-26-11)14-9-15-18(13-8-6-7-12(13)14)22-21(4,5)19(25)20(15,2)3/h9,22,24H,6-8,10H2,1-5H3
InChIKeyUBPGDKKVBUBBPG-UHFFFAOYSA-N
XLogP3.68
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2,4,4-tetramethyl-1H-quinolin-3-one
CID 122179356
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
(3R,4S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol
CID 68951547
(3S,4R)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol
CID 68951548
6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol
CID 68951549
7-Fluoro-8-[3-(hydroxymethyl)-5-methyl-1,2-oxazol-4-yl]-4,4,9b-trimethyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-3a-ol
CID 140130804
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
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
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-(hydroxymethyl)-5-methyl-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-(hydroxymethyl)-5-methyl-1,2-oxazol-4-yl]-2,2,4,4-tetramethyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one (CID 24961414) is 6-[3-(hydroxymethyl)-5-methyl-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-(hydroxymethyl)-5-methyl-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-(hydroxymethyl)-5-methyl-1,2-oxazol-4-yl]-2,2,4,4-tetramethyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one is Cc1onc(CO)c1-c1cc2c(c3c1CCC3)NC(C)(C)C(=O)C2(C)C.
What is the InChIKey of 6-[3-(hydroxymethyl)-5-methyl-1,2-oxazol-4-yl]-2,2,4,4-tetramethyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one?
The InChIKey is UBPGDKKVBUBBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-11-17(16(10-24)23-26-11)14-9-15-18(13-8-6-7-12(13)14)22-21(4,5)19(25)20(15,2)3/h9,22,24H,6-8,10H2,1-5H3.
What are the key properties of 6-[3-(hydroxymethyl)-5-methyl-1,2-oxazol-4-yl]-2,2,4,4-tetramethyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one?
6-[3-(hydroxymethyl)-5-methyl-1,2-oxazol-4-yl]-2,2,4,4-tetramethyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one has a molecular weight of 354.45 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(hydroxymethyl)-5-methyl-1,2-oxazol-4-yl]-2,2,4,4-tetramethyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one is sourced from PubChem (CID 24961414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).