N-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

C15H16N2O2 — CID 16645751

IUPACN-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(NCc1ccco1)N1CCc2ccccc2C1
InChIInChI=1S/C15H16N2O2/c18-15(16-10-14-6-3-9-19-14)17-8-7-12-4-1-2-5-13(12)11-17/h1-6,9H,7-8,10-11H2,(H,16,18)
InChIKeyXGQRUVWSGLKDDJ-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.55
Rot. Bonds2

About N-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

N-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 16645751) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID16645751
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(NCc1ccco1)N1CCc2ccccc2C1
InChIInChI=1S/C15H16N2O2/c18-15(16-10-14-6-3-9-19-14)17-8-7-12-4-1-2-5-13(12)11-17/h1-6,9H,7-8,10-11H2,(H,16,18)
InChIKeyXGQRUVWSGLKDDJ-UHFFFAOYSA-N
XLogP2.55
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-ylmethylamino)propan-1-one
CID 655966
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-ylmethylamino)propan-1-one
CID 1439849
N-[(2S)-1-(furan-2-yl)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 35684027
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(furan-2-ylmethyl)pyridine-4-carboxamide
CID 109085025
3-[[[C-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylcarbonimidoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 110946606
3,4-dihydro-1H-isoquinolin-2-yl-[4-(furan-2-ylmethylamino)-2-pyridinyl]methanone
CID 109209464
N-(furan-2-ylmethyl)-2-(2-methoxyethyl)-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide
CID 91894591
N-[(5-chlorofuran-2-yl)methyl]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide
CID 166191822
N-(cyanomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108864780
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide;formic acid
CID 154908208
N-(furan-2-ylmethyl)-2,6-dimethylmorpholine-4-carboxamide
CID 47125598
N-pentyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108989142

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 16645751) is N-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is O=C(NCc1ccco1)N1CCc2ccccc2C1.
What is the InChIKey of N-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is XGQRUVWSGLKDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-15(16-10-14-6-3-9-19-14)17-8-7-12-4-1-2-5-13(12)11-17/h1-6,9H,7-8,10-11H2,(H,16,18).
What are the key properties of N-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 16645751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).