furan-2-yl-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanone

C19H17NO3 — CID 162400386

IUPACfuran-2-yl-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanone
SMILESO=C(c1ccco1)C1c2ccccc2CCN1Cc1ccco1
InChIInChI=1S/C19H17NO3/c21-19(17-8-4-12-23-17)18-16-7-2-1-5-14(16)9-10-20(18)13-15-6-3-11-22-15/h1-8,11-12,18H,9-10,13H2
InChIKeyUTBRIXXKFIVWLY-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.85
Rot. Bonds4

About furan-2-yl-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanone

furan-2-yl-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanone (PubChem CID 162400386) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is furan-2-yl-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanone
PubChem CID162400386
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Namefuran-2-yl-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanone
SMILESO=C(c1ccco1)C1c2ccccc2CCN1Cc1ccco1
InChIInChI=1S/C19H17NO3/c21-19(17-8-4-12-23-17)18-16-7-2-1-5-14(16)9-10-20(18)13-15-6-3-11-22-15/h1-8,11-12,18H,9-10,13H2
InChIKeyUTBRIXXKFIVWLY-UHFFFAOYSA-N
XLogP3.85
TPSA46.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 65067481
2-[(4,5-dibromofuran-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 65067629
furan-2-yl-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 42710493
methyl 1-(furan-2-ylmethylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 71794172
(2R,3R)-1-(furan-2-ylmethyl)-2,3-dimethylpiperidin-4-one
CID 6553776
(2R,3S)-1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carboxylic acid
CID 96615458
2,3-dihydro-1H-inden-2-yl(furan-2-yl)methanone
CID 65408377
1-(furan-2-ylmethyl)-2,3-dihydroindole
CID 14884168
N-methyl-2-[(2-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 134337246
methyl 2-[[4-(acetamidomethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-1-carboxylate
CID 166719002
benzyl 1-(furan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 166559307
2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 173232682

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanone?
The IUPAC name of furan-2-yl-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanone (CID 162400386) is furan-2-yl-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanone is O=C(c1ccco1)C1c2ccccc2CCN1Cc1ccco1.
What is the InChIKey of furan-2-yl-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanone?
The InChIKey is UTBRIXXKFIVWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c21-19(17-8-4-12-23-17)18-16-7-2-1-5-14(16)9-10-20(18)13-15-6-3-11-22-15/h1-8,11-12,18H,9-10,13H2.
What are the key properties of furan-2-yl-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanone?
furan-2-yl-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanone has a molecular weight of 307.35 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanone is sourced from PubChem (CID 162400386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).