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

C21H24N2O3 — CID 87496286

IUPAC5-methyl-4-(2,2,4,4-tetramethyl-3-oxo-1,7,8,9-tetrahydrocyclopenta[h]quinolin-6-yl)-1,2-oxazole-3-carbaldehyde
SMILESCc1onc(C=O)c1-c1cc2c(c3c1CCC3)NC(C)(C)C(=O)C2(C)C
InChIInChI=1S/C21H24N2O3/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/h9-10,22H,6-8H2,1-5H3
InChIKeyMXDITUDULSHDFT-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.00
Rot. Bonds2

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

5-methyl-4-(2,2,4,4-tetramethyl-3-oxo-1,7,8,9-tetrahydrocyclopenta[h]quinolin-6-yl)-1,2-oxazole-3-carbaldehyde (PubChem CID 87496286) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 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-carbaldehyde.

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-carbaldehyde
PubChem CID87496286
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name5-methyl-4-(2,2,4,4-tetramethyl-3-oxo-1,7,8,9-tetrahydrocyclopenta[h]quinolin-6-yl)-1,2-oxazole-3-carbaldehyde
SMILESCc1onc(C=O)c1-c1cc2c(c3c1CCC3)NC(C)(C)C(=O)C2(C)C
InChIInChI=1S/C21H24N2O3/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/h9-10,22H,6-8H2,1-5H3
InChIKeyMXDITUDULSHDFT-UHFFFAOYSA-N
XLogP4.00
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-methyl-4-(2,2,4,4-tetramethyl-3-oxo-1,7,8,9-tetrahydrocyclopenta[h]quinolin-6-yl)-1,2-oxazole-3-carbaldehyde 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 5-methyl-4-(2,2,4,4-tetramethyl-3-oxo-1,7,8,9-tetrahydrocyclopenta[h]quinolin-6-yl)-1,2-oxazole-3-carbaldehyde?
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-carbaldehyde (CID 87496286) is 5-methyl-4-(2,2,4,4-tetramethyl-3-oxo-1,7,8,9-tetrahydrocyclopenta[h]quinolin-6-yl)-1,2-oxazole-3-carbaldehyde.
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-carbaldehyde?
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-carbaldehyde is Cc1onc(C=O)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-carbaldehyde?
The InChIKey is MXDITUDULSHDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/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/h9-10,22H,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-carbaldehyde?
5-methyl-4-(2,2,4,4-tetramethyl-3-oxo-1,7,8,9-tetrahydrocyclopenta[h]quinolin-6-yl)-1,2-oxazole-3-carbaldehyde has a molecular weight of 352.43 g/mol, XLogP of 4.00, 2 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-carbaldehyde is sourced from PubChem (CID 87496286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).