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

C21H23N3O2 — CID 24961778

IUPAC5-methyl-4-(2,2,4,4-tetramethyl-3-oxo-1,7,8,9-tetrahydrocyclopenta[h]quinolin-6-yl)-1,2-oxazole-3-carbonitrile
SMILESCc1onc(C#N)c1-c1cc2c(c3c1CCC3)NC(C)(C)C(=O)C2(C)C
InChIInChI=1S/C21H23N3O2/c1-11-17(16(10-22)24-26-11)14-9-15-18(13-8-6-7-12(13)14)23-21(4,5)19(25)20(15,2)3/h9,23H,6-8H2,1-5H3
InChIKeyQTXZIKMRHXYLCY-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.06
Rot. Bonds1

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

5-methyl-4-(2,2,4,4-tetramethyl-3-oxo-1,7,8,9-tetrahydrocyclopenta[h]quinolin-6-yl)-1,2-oxazole-3-carbonitrile (PubChem CID 24961778) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 5-methyl-4-(2,2,4,4-tetramethyl-3-oxo-1,7,8,9-tetrahydrocyclopenta[h]quinolin-6-yl)-1,2-oxazole-3-carbonitrile.

Molecular Properties

Compound Name5-methyl-4-(2,2,4,4-tetramethyl-3-oxo-1,7,8,9-tetrahydrocyclopenta[h]quinolin-6-yl)-1,2-oxazole-3-carbonitrile
PubChem CID24961778
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name5-methyl-4-(2,2,4,4-tetramethyl-3-oxo-1,7,8,9-tetrahydrocyclopenta[h]quinolin-6-yl)-1,2-oxazole-3-carbonitrile
SMILESCc1onc(C#N)c1-c1cc2c(c3c1CCC3)NC(C)(C)C(=O)C2(C)C
InChIInChI=1S/C21H23N3O2/c1-11-17(16(10-22)24-26-11)14-9-15-18(13-8-6-7-12(13)14)23-21(4,5)19(25)20(15,2)3/h9,23H,6-8H2,1-5H3
InChIKeyQTXZIKMRHXYLCY-UHFFFAOYSA-N
XLogP4.06
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2,2,4,4-tetramethyl-3-oxo-1,7,8,9-tetrahydrocyclopenta[h]quinolin-6-yl)-1,2-oxazole-3-carbonitrile?
The IUPAC name of 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) is 5-methyl-4-(2,2,4,4-tetramethyl-3-oxo-1,7,8,9-tetrahydrocyclopenta[h]quinolin-6-yl)-1,2-oxazole-3-carbonitrile.
What is the SMILES notation for 5-methyl-4-(2,2,4,4-tetramethyl-3-oxo-1,7,8,9-tetrahydrocyclopenta[h]quinolin-6-yl)-1,2-oxazole-3-carbonitrile?
The canonical SMILES for 5-methyl-4-(2,2,4,4-tetramethyl-3-oxo-1,7,8,9-tetrahydrocyclopenta[h]quinolin-6-yl)-1,2-oxazole-3-carbonitrile is Cc1onc(C#N)c1-c1cc2c(c3c1CCC3)NC(C)(C)C(=O)C2(C)C.
What is the InChIKey of 5-methyl-4-(2,2,4,4-tetramethyl-3-oxo-1,7,8,9-tetrahydrocyclopenta[h]quinolin-6-yl)-1,2-oxazole-3-carbonitrile?
The InChIKey is QTXZIKMRHXYLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-11-17(16(10-22)24-26-11)14-9-15-18(13-8-6-7-12(13)14)23-21(4,5)19(25)20(15,2)3/h9,23H,6-8H2,1-5H3.
What are the key properties of 5-methyl-4-(2,2,4,4-tetramethyl-3-oxo-1,7,8,9-tetrahydrocyclopenta[h]quinolin-6-yl)-1,2-oxazole-3-carbonitrile?
5-methyl-4-(2,2,4,4-tetramethyl-3-oxo-1,7,8,9-tetrahydrocyclopenta[h]quinolin-6-yl)-1,2-oxazole-3-carbonitrile has a molecular weight of 349.43 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2,2,4,4-tetramethyl-3-oxo-1,7,8,9-tetrahydrocyclopenta[h]quinolin-6-yl)-1,2-oxazole-3-carbonitrile is sourced from PubChem (CID 24961778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).