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

C22H29N3O2 — CID 24961777

IUPAC6-[3-(ethylamino)-5-methyl-1,2-oxazol-4-yl]-2,2,4,4-tetramethyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one
SMILESCCNc1noc(C)c1-c1cc2c(c3c1CCC3)NC(C)(C)C(=O)C2(C)C
InChIInChI=1S/C22H29N3O2/c1-7-23-19-17(12(2)27-25-19)15-11-16-18(14-10-8-9-13(14)15)24-22(5,6)20(26)21(16,3)4/h11,24H,7-10H2,1-6H3,(H,23,25)
InChIKeyXJTHFJWAVQCJIC-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.62
Rot. Bonds3

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

6-[3-(ethylamino)-5-methyl-1,2-oxazol-4-yl]-2,2,4,4-tetramethyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one (PubChem CID 24961777) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 6-[3-(ethylamino)-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-(ethylamino)-5-methyl-1,2-oxazol-4-yl]-2,2,4,4-tetramethyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one
PubChem CID24961777
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name6-[3-(ethylamino)-5-methyl-1,2-oxazol-4-yl]-2,2,4,4-tetramethyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one
SMILESCCNc1noc(C)c1-c1cc2c(c3c1CCC3)NC(C)(C)C(=O)C2(C)C
InChIInChI=1S/C22H29N3O2/c1-7-23-19-17(12(2)27-25-19)15-11-16-18(14-10-8-9-13(14)15)24-22(5,6)20(26)21(16,3)4/h11,24H,7-10H2,1-6H3,(H,23,25)
InChIKeyXJTHFJWAVQCJIC-UHFFFAOYSA-N
XLogP4.62
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[3-(ethylamino)-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-(ethylamino)-5-methyl-1,2-oxazol-4-yl]-2,2,4,4-tetramethyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one (CID 24961777) is 6-[3-(ethylamino)-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-(ethylamino)-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-(ethylamino)-5-methyl-1,2-oxazol-4-yl]-2,2,4,4-tetramethyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one is CCNc1noc(C)c1-c1cc2c(c3c1CCC3)NC(C)(C)C(=O)C2(C)C.
What is the InChIKey of 6-[3-(ethylamino)-5-methyl-1,2-oxazol-4-yl]-2,2,4,4-tetramethyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one?
The InChIKey is XJTHFJWAVQCJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-7-23-19-17(12(2)27-25-19)15-11-16-18(14-10-8-9-13(14)15)24-22(5,6)20(26)21(16,3)4/h11,24H,7-10H2,1-6H3,(H,23,25).
What are the key properties of 6-[3-(ethylamino)-5-methyl-1,2-oxazol-4-yl]-2,2,4,4-tetramethyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one?
6-[3-(ethylamino)-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 367.49 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(ethylamino)-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 24961777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).