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

C22H29N3O2 — CID 24961416

IUPAC6-[3-(dimethylamino)-5-methyl-1,2-oxazol-4-yl]-2,2,4,4-tetramethyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one
SMILESCc1onc(N(C)C)c1-c1cc2c(c3c1CCC3)NC(C)(C)C(=O)C2(C)C
InChIInChI=1S/C22H29N3O2/c1-12-17(19(24-27-12)25(6)7)15-11-16-18(14-10-8-9-13(14)15)23-22(4,5)20(26)21(16,2)3/h11,23H,8-10H2,1-7H3
InChIKeyWBJNNYLZQYKTPG-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.26
Rot. Bonds2

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

6-[3-(dimethylamino)-5-methyl-1,2-oxazol-4-yl]-2,2,4,4-tetramethyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one (PubChem CID 24961416) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 6-[3-(dimethylamino)-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-(dimethylamino)-5-methyl-1,2-oxazol-4-yl]-2,2,4,4-tetramethyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one
PubChem CID24961416
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name6-[3-(dimethylamino)-5-methyl-1,2-oxazol-4-yl]-2,2,4,4-tetramethyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one
SMILESCc1onc(N(C)C)c1-c1cc2c(c3c1CCC3)NC(C)(C)C(=O)C2(C)C
InChIInChI=1S/C22H29N3O2/c1-12-17(19(24-27-12)25(6)7)15-11-16-18(14-10-8-9-13(14)15)23-22(4,5)20(26)21(16,2)3/h11,23H,8-10H2,1-7H3
InChIKeyWBJNNYLZQYKTPG-UHFFFAOYSA-N
XLogP4.26
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)-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-(dimethylamino)-5-methyl-1,2-oxazol-4-yl]-2,2,4,4-tetramethyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one (CID 24961416) is 6-[3-(dimethylamino)-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-(dimethylamino)-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-(dimethylamino)-5-methyl-1,2-oxazol-4-yl]-2,2,4,4-tetramethyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one is Cc1onc(N(C)C)c1-c1cc2c(c3c1CCC3)NC(C)(C)C(=O)C2(C)C.
What is the InChIKey of 6-[3-(dimethylamino)-5-methyl-1,2-oxazol-4-yl]-2,2,4,4-tetramethyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one?
The InChIKey is WBJNNYLZQYKTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-12-17(19(24-27-12)25(6)7)15-11-16-18(14-10-8-9-13(14)15)23-22(4,5)20(26)21(16,2)3/h11,23H,8-10H2,1-7H3.
What are the key properties of 6-[3-(dimethylamino)-5-methyl-1,2-oxazol-4-yl]-2,2,4,4-tetramethyl-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one?
6-[3-(dimethylamino)-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 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)-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 24961416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).