5-[[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]methyl]furan-2-carboxylic acid

C19H23NO3 — CID 125044623

IUPAC5-[[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]methyl]furan-2-carboxylic acid
SMILESCc1cccc2c1N(Cc1ccc(C(=O)O)o1)C(C)(C)C[C@H]2C
InChIInChI=1S/C19H23NO3/c1-12-6-5-7-15-13(2)10-19(3,4)20(17(12)15)11-14-8-9-16(23-14)18(21)22/h5-9,13H,10-11H2,1-4H3,(H,21,22)/t13-/m1/s1
InChIKeyOXMYBDIGLLRYFY-CYBMUJFWSA-N
MW313.40 g/mol
LogP4.58
Rot. Bonds3

About 5-[[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]methyl]furan-2-carboxylic acid

5-[[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]methyl]furan-2-carboxylic acid (PubChem CID 125044623) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 5-[[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]methyl]furan-2-carboxylic acid
PubChem CID125044623
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name5-[[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]methyl]furan-2-carboxylic acid
SMILESCc1cccc2c1N(Cc1ccc(C(=O)O)o1)C(C)(C)C[C@H]2C
InChIInChI=1S/C19H23NO3/c1-12-6-5-7-15-13(2)10-19(3,4)20(17(12)15)11-14-8-9-16(23-14)18(21)22/h5-9,13H,10-11H2,1-4H3,(H,21,22)/t13-/m1/s1
InChIKeyOXMYBDIGLLRYFY-CYBMUJFWSA-N
XLogP4.58
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]methyl]furan-2-carboxylic acid 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-[[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]methyl]furan-2-carboxylic acid (CID 125044623) is 5-[[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]methyl]furan-2-carboxylic acid is Cc1cccc2c1N(Cc1ccc(C(=O)O)o1)C(C)(C)C[C@H]2C.
What is the InChIKey of 5-[[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]methyl]furan-2-carboxylic acid?
The InChIKey is OXMYBDIGLLRYFY-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23NO3/c1-12-6-5-7-15-13(2)10-19(3,4)20(17(12)15)11-14-8-9-16(23-14)18(21)22/h5-9,13H,10-11H2,1-4H3,(H,21,22)/t13-/m1/s1.
What are the key properties of 5-[[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]methyl]furan-2-carboxylic acid?
5-[[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]methyl]furan-2-carboxylic acid has a molecular weight of 313.40 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 125044623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).