2-(furan-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid

C15H15NO3 — CID 83172634

IUPAC2-(furan-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CN(Cc1ccoc1)CC2
InChIInChI=1S/C15H15NO3/c17-15(18)13-2-1-12-3-5-16(9-14(12)7-13)8-11-4-6-19-10-11/h1-2,4,6-7,10H,3,5,8-9H2,(H,17,18)
InChIKeyJKJYBNSUGFWTOM-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.54
Rot. Bonds3

About 2-(furan-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid

2-(furan-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid (PubChem CID 83172634) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(furan-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid.

Molecular Properties

Compound Name2-(furan-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
PubChem CID83172634
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-(furan-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CN(Cc1ccoc1)CC2
InChIInChI=1S/C15H15NO3/c17-15(18)13-2-1-12-3-5-16(9-14(12)7-13)8-11-4-6-19-10-11/h1-2,4,6-7,10H,3,5,8-9H2,(H,17,18)
InChIKeyJKJYBNSUGFWTOM-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(furan-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-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

2-[(2-methyltetrazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 107045032
3-(dimethylamino)-7-(furan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 97463619
7-(furan-3-ylmethyl)-3-pyrimidin-5-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 97389658
2-benzyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride
CID 23298431
2-(2-carboxyethyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 82163503
2-(furan-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 65067481
2-(2,3-dihydroxypropyl)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 82582338
4-(furan-3-ylmethyl)-1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine;bis(2,2,2-trifluoroacetic acid)
CID 155839614
2-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 114528797
1-(furan-3-ylmethyl)-4-phenylpiperidine-4-carboxylic acid
CID 65072209
4-fluoro-3-(furan-3-ylmethylsulfanyl)benzoic acid
CID 83172369
2-(1-benzylpiperidin-4-yl)-1-(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethanone;dihydrochloride
CID 70026664

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid?
The IUPAC name of 2-(furan-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid (CID 83172634) is 2-(furan-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid.
What is the SMILES notation for 2-(furan-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid?
The canonical SMILES for 2-(furan-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid is O=C(O)c1ccc2c(c1)CN(Cc1ccoc1)CC2.
What is the InChIKey of 2-(furan-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid?
The InChIKey is JKJYBNSUGFWTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c17-15(18)13-2-1-12-3-5-16(9-14(12)7-13)8-11-4-6-19-10-11/h1-2,4,6-7,10H,3,5,8-9H2,(H,17,18).
What are the key properties of 2-(furan-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid?
2-(furan-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid is sourced from PubChem (CID 83172634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).