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

C19H23NO4 — CID 132651366

IUPAC5-[(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)methyl]furan-2-carboxylic acid
SMILESCOc1cccc2c1N(Cc1ccc(C(=O)O)o1)C(C)(C)CC2C
InChIInChI=1S/C19H23NO4/c1-12-10-19(2,3)20(11-13-8-9-16(24-13)18(21)22)17-14(12)6-5-7-15(17)23-4/h5-9,12H,10-11H2,1-4H3,(H,21,22)
InChIKeyNFHFJVKTAIHABL-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.28
Rot. Bonds4

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

5-[(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)methyl]furan-2-carboxylic acid (PubChem CID 132651366) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-[(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)methyl]furan-2-carboxylic acid
PubChem CID132651366
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name5-[(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)methyl]furan-2-carboxylic acid
SMILESCOc1cccc2c1N(Cc1ccc(C(=O)O)o1)C(C)(C)CC2C
InChIInChI=1S/C19H23NO4/c1-12-10-19(2,3)20(11-13-8-9-16(24-13)18(21)22)17-14(12)6-5-7-15(17)23-4/h5-9,12H,10-11H2,1-4H3,(H,21,22)
InChIKeyNFHFJVKTAIHABL-UHFFFAOYSA-N
XLogP4.28
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(8-methoxy-2,2,4-trimethyl-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

Related Compounds

5-[[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]methyl]furan-2-carboxylic acid
CID 125044623
2-(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)pentanoic acid
CID 132650285
methyl 2-(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-methylpropanoate
CID 132650294
(2R)-2-[(4R)-8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]hexanoic acid
CID 125044518
5-[(5,6-dimethoxybenzotriazol-2-yl)methyl]furan-2-carboxylic acid
CID 82096669
5-[2-(2-methoxyphenyl)ethyl]furan-2-carboxylic acid
CID 23148945
8-acetyl-2-[(5-carboxyfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56901025
5-[[(2R)-2-methylpiperidin-1-yl]methyl]furan-2-carboxylic acid
CID 42233591
5-[(4-ethylpiperazin-1-yl)methyl]furan-2-carboxylic acid
CID 20992392
methyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate
CID 652979
5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid
CID 103577076
5-[(2-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid;hydrochloride
CID 171134030

Frequently Asked Questions

What is the IUPAC name of 5-[(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)methyl]furan-2-carboxylic acid (CID 132651366) is 5-[(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)methyl]furan-2-carboxylic acid is COc1cccc2c1N(Cc1ccc(C(=O)O)o1)C(C)(C)CC2C.
What is the InChIKey of 5-[(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)methyl]furan-2-carboxylic acid?
The InChIKey is NFHFJVKTAIHABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-12-10-19(2,3)20(11-13-8-9-16(24-13)18(21)22)17-14(12)6-5-7-15(17)23-4/h5-9,12H,10-11H2,1-4H3,(H,21,22).
What are the key properties of 5-[(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)methyl]furan-2-carboxylic acid?
5-[(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)methyl]furan-2-carboxylic acid has a molecular weight of 329.40 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 132651366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).