(3R)-N-[2-(furan-2-yl)ethyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide

C16H16N2O3 — CID 126426160

IUPAC(3R)-N-[2-(furan-2-yl)ethyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
SMILESO=C1N[C@@H](C(=O)NCCc2ccco2)Cc2ccccc21
InChIInChI=1S/C16H16N2O3/c19-15-13-6-2-1-4-11(13)10-14(18-15)16(20)17-8-7-12-5-3-9-21-12/h1-6,9,14H,7-8,10H2,(H,17,20)(H,18,19)/t14-/m1/s1
InChIKeyJMRZQBQVUIADHI-CQSZACIVSA-N
MW284.31 g/mol
LogP1.29
Rot. Bonds4

About (3R)-N-[2-(furan-2-yl)ethyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide

(3R)-N-[2-(furan-2-yl)ethyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide (PubChem CID 126426160) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is (3R)-N-[2-(furan-2-yl)ethyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(furan-2-yl)ethyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
PubChem CID126426160
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name(3R)-N-[2-(furan-2-yl)ethyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
SMILESO=C1N[C@@H](C(=O)NCCc2ccco2)Cc2ccccc21
InChIInChI=1S/C16H16N2O3/c19-15-13-6-2-1-4-11(13)10-14(18-15)16(20)17-8-7-12-5-3-9-21-12/h1-6,9,14H,7-8,10H2,(H,17,20)(H,18,19)/t14-/m1/s1
InChIKeyJMRZQBQVUIADHI-CQSZACIVSA-N
XLogP1.29
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-N-[2-(furan-2-yl)ethyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide with MolForge

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 110690401
(3R)-N-[2-(3-methoxyphenyl)ethyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 102260246
(3S)-N-(oxan-4-ylmethyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 125167141
(3R)-1-oxo-N-[3-(2H-tetrazol-5-yl)propyl]-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 126430967
N-[2-(furan-2-yl)ethyl]cyclopentanecarboxamide
CID 110733508
N-[(2-chlorophenyl)methyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 110690377
(4S)-N-[2-(furan-2-yl)ethyl]-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 97272787
N-[3-(furan-2-yl)propyl]-2,7-dioxo-1,3-diazepane-4-carboxamide
CID 74250472
N-[4-(furan-2-yl)butan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76896522
2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[2-(furan-2-yl)ethyl]acetamide
CID 98207379
2-[2-(furan-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 54867947
1-acetyl-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide
CID 110745476

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(furan-2-yl)ethyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide?
The IUPAC name of (3R)-N-[2-(furan-2-yl)ethyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide (CID 126426160) is (3R)-N-[2-(furan-2-yl)ethyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(furan-2-yl)ethyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(furan-2-yl)ethyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide is O=C1N[C@@H](C(=O)NCCc2ccco2)Cc2ccccc21.
What is the InChIKey of (3R)-N-[2-(furan-2-yl)ethyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide?
The InChIKey is JMRZQBQVUIADHI-CQSZACIVSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-15-13-6-2-1-4-11(13)10-14(18-15)16(20)17-8-7-12-5-3-9-21-12/h1-6,9,14H,7-8,10H2,(H,17,20)(H,18,19)/t14-/m1/s1.
What are the key properties of (3R)-N-[2-(furan-2-yl)ethyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide?
(3R)-N-[2-(furan-2-yl)ethyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide has a molecular weight of 284.31 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(furan-2-yl)ethyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide is sourced from PubChem (CID 126426160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).