5-(3,4-dihydro-2H-quinolin-1-ylmethyl)furan-3-carboxylic acid

C15H15NO3 — CID 55054315

IUPAC5-(3,4-dihydro-2H-quinolin-1-ylmethyl)furan-3-carboxylic acid
SMILESO=C(O)c1coc(CN2CCCc3ccccc32)c1
InChIInChI=1S/C15H15NO3/c17-15(18)12-8-13(19-10-12)9-16-7-3-5-11-4-1-2-6-14(11)16/h1-2,4,6,8,10H,3,5,7,9H2,(H,17,18)
InChIKeySKFHMIVPZCILPT-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.93
Rot. Bonds3

About 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)furan-3-carboxylic acid

5-(3,4-dihydro-2H-quinolin-1-ylmethyl)furan-3-carboxylic acid (PubChem CID 55054315) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-quinolin-1-ylmethyl)furan-3-carboxylic acid
PubChem CID55054315
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name5-(3,4-dihydro-2H-quinolin-1-ylmethyl)furan-3-carboxylic acid
SMILESO=C(O)c1coc(CN2CCCc3ccccc32)c1
InChIInChI=1S/C15H15NO3/c17-15(18)12-8-13(19-10-12)9-16-7-3-5-11-4-1-2-6-14(11)16/h1-2,4,6,8,10H,3,5,7,9H2,(H,17,18)
InChIKeySKFHMIVPZCILPT-UHFFFAOYSA-N
XLogP2.93
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)furan-3-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-(3,4-dihydro-2H-quinolin-1-ylmethyl)pyridine-3-carboxylic acid
CID 117212734
5-[(2-chlorophenyl)methoxy]-2-(3,4-dihydro-2H-quinolin-1-ylmethyl)pyran-4-one
CID 7541832
3-amino-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 43375573
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-fluorobenzoic acid
CID 106699040
2-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,3-dimethylphenyl)acetamide
CID 7178285
1-(azepan-1-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 109033505
2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetic acid
CID 54483331
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-phenylphenyl)ethanone
CID 82051050
5-[(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)methyl]furan-3-carboxylic acid
CID 107342607
2-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)acetic acid
CID 119994270
5-(3,4-dihydro-2H-quinolin-1-yl)pentan-1-ol
CID 13472126
1-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dihydro-2H-quinoline
CID 66472298

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)furan-3-carboxylic acid?
The IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)furan-3-carboxylic acid (CID 55054315) is 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)furan-3-carboxylic acid.
What is the SMILES notation for 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)furan-3-carboxylic acid?
The canonical SMILES for 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)furan-3-carboxylic acid is O=C(O)c1coc(CN2CCCc3ccccc32)c1.
What is the InChIKey of 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)furan-3-carboxylic acid?
The InChIKey is SKFHMIVPZCILPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c17-15(18)12-8-13(19-10-12)9-16-7-3-5-11-4-1-2-6-14(11)16/h1-2,4,6,8,10H,3,5,7,9H2,(H,17,18).
What are the key properties of 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)furan-3-carboxylic acid?
5-(3,4-dihydro-2H-quinolin-1-ylmethyl)furan-3-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)furan-3-carboxylic acid is sourced from PubChem (CID 55054315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).