N-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide

C19H22N2O3 — CID 24791649

IUPACN-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)CN(Cc1ccco1)CC2)C1CCCO1
InChIInChI=1S/C19H22N2O3/c22-19(18-4-2-10-24-18)20-16-6-5-14-7-8-21(12-15(14)11-16)13-17-3-1-9-23-17/h1,3,5-6,9,11,18H,2,4,7-8,10,12-13H2,(H,20,22)
InChIKeyIGBHXTQLGVRFFX-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.96
Rot. Bonds4

About N-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide

N-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide (PubChem CID 24791649) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
PubChem CID24791649
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)CN(Cc1ccco1)CC2)C1CCCO1
InChIInChI=1S/C19H22N2O3/c22-19(18-4-2-10-24-18)20-16-6-5-14-7-8-21(12-15(14)11-16)13-17-3-1-9-23-17/h1,3,5-6,9,11,18H,2,4,7-8,10,12-13H2,(H,20,22)
InChIKeyIGBHXTQLGVRFFX-UHFFFAOYSA-N
XLogP2.96
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
CID 45171333
N-[2-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
CID 45215598
N-[2-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
CID 45244491
N-[4-(furan-2-ylmethylamino)phenyl]oxolane-2-carboxamide
CID 112981777
N-[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
CID 45183582
N-[2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
CID 45180223
N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)oxolane-2-carboxamide
CID 24791865
N-[2-(2-pyrimidin-2-ylsulfanylacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
CID 45195102
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)oxolane-2-carboxamide
CID 16835050
(2R)-N-[2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
CID 25297833
(2S)-N-[3-[furan-2-ylmethyl(methyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 94020588
(2R)-N-[2-(3-fluoro-4-methylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
CID 97274157

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide (CID 24791649) is N-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide is O=C(Nc1ccc2c(c1)CN(Cc1ccco1)CC2)C1CCCO1.
What is the InChIKey of N-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide?
The InChIKey is IGBHXTQLGVRFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-19(18-4-2-10-24-18)20-16-6-5-14-7-8-21(12-15(14)11-16)13-17-3-1-9-23-17/h1,3,5-6,9,11,18H,2,4,7-8,10,12-13H2,(H,20,22).
What are the key properties of N-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide?
N-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide is sourced from PubChem (CID 24791649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).