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

C21H27N3O2 — CID 24961776

IUPAC2,2,4,4-tetramethyl-6-[5-methyl-3-(methylamino)-1,2-oxazol-4-yl]-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one
SMILESCNc1noc(C)c1-c1cc2c(c3c1CCC3)NC(C)(C)C(=O)C2(C)C
InChIInChI=1S/C21H27N3O2/c1-11-16(18(22-6)24-26-11)14-10-15-17(13-9-7-8-12(13)14)23-21(4,5)19(25)20(15,2)3/h10,23H,7-9H2,1-6H3,(H,22,24)
InChIKeyNIZNLYYBHCCPPZ-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.23
Rot. Bonds2

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

2,2,4,4-tetramethyl-6-[5-methyl-3-(methylamino)-1,2-oxazol-4-yl]-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one (PubChem CID 24961776) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-6-[5-methyl-3-(methylamino)-1,2-oxazol-4-yl]-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-6-[5-methyl-3-(methylamino)-1,2-oxazol-4-yl]-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one
PubChem CID24961776
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2,2,4,4-tetramethyl-6-[5-methyl-3-(methylamino)-1,2-oxazol-4-yl]-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one
SMILESCNc1noc(C)c1-c1cc2c(c3c1CCC3)NC(C)(C)C(=O)C2(C)C
InChIInChI=1S/C21H27N3O2/c1-11-16(18(22-6)24-26-11)14-10-15-17(13-9-7-8-12(13)14)23-21(4,5)19(25)20(15,2)3/h10,23H,7-9H2,1-6H3,(H,22,24)
InChIKeyNIZNLYYBHCCPPZ-UHFFFAOYSA-N
XLogP4.23
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-6-[5-methyl-3-(methylamino)-1,2-oxazol-4-yl]-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one?
The IUPAC name of 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) is 2,2,4,4-tetramethyl-6-[5-methyl-3-(methylamino)-1,2-oxazol-4-yl]-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one.
What is the SMILES notation for 2,2,4,4-tetramethyl-6-[5-methyl-3-(methylamino)-1,2-oxazol-4-yl]-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one?
The canonical SMILES for 2,2,4,4-tetramethyl-6-[5-methyl-3-(methylamino)-1,2-oxazol-4-yl]-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one is CNc1noc(C)c1-c1cc2c(c3c1CCC3)NC(C)(C)C(=O)C2(C)C.
What is the InChIKey of 2,2,4,4-tetramethyl-6-[5-methyl-3-(methylamino)-1,2-oxazol-4-yl]-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one?
The InChIKey is NIZNLYYBHCCPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-11-16(18(22-6)24-26-11)14-10-15-17(13-9-7-8-12(13)14)23-21(4,5)19(25)20(15,2)3/h10,23H,7-9H2,1-6H3,(H,22,24).
What are the key properties of 2,2,4,4-tetramethyl-6-[5-methyl-3-(methylamino)-1,2-oxazol-4-yl]-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one?
2,2,4,4-tetramethyl-6-[5-methyl-3-(methylamino)-1,2-oxazol-4-yl]-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one has a molecular weight of 353.47 g/mol, XLogP of 4.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-6-[5-methyl-3-(methylamino)-1,2-oxazol-4-yl]-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one is sourced from PubChem (CID 24961776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).