[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]-(3-propylmorpholin-4-yl)methanone

C22H28N2O3 — CID 118762449

IUPAC[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]-(3-propylmorpholin-4-yl)methanone
SMILESCCCC1COCCN1C(=O)c1ccc(CN2CCc3ccccc3C2)o1
InChIInChI=1S/C22H28N2O3/c1-2-5-19-16-26-13-12-24(19)22(25)21-9-8-20(27-21)15-23-11-10-17-6-3-4-7-18(17)14-23/h3-4,6-9,19H,2,5,10-16H2,1H3
InChIKeyLHDGHHMOJRQHDL-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.48
Rot. Bonds5

About [5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]-(3-propylmorpholin-4-yl)methanone

[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]-(3-propylmorpholin-4-yl)methanone (PubChem CID 118762449) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is [5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]-(3-propylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]-(3-propylmorpholin-4-yl)methanone
PubChem CID118762449
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]-(3-propylmorpholin-4-yl)methanone
SMILESCCCC1COCCN1C(=O)c1ccc(CN2CCc3ccccc3C2)o1
InChIInChI=1S/C22H28N2O3/c1-2-5-19-16-26-13-12-24(19)22(25)21-9-8-20(27-21)15-23-11-10-17-6-3-4-7-18(17)14-23/h3-4,6-9,19H,2,5,10-16H2,1H3
InChIKeyLHDGHHMOJRQHDL-UHFFFAOYSA-N
XLogP3.48
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]-(3-propylmorpholin-4-yl)methanone?
The IUPAC name of [5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]-(3-propylmorpholin-4-yl)methanone (CID 118762449) is [5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]-(3-propylmorpholin-4-yl)methanone.
What is the SMILES notation for [5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]-(3-propylmorpholin-4-yl)methanone?
The canonical SMILES for [5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]-(3-propylmorpholin-4-yl)methanone is CCCC1COCCN1C(=O)c1ccc(CN2CCc3ccccc3C2)o1.
What is the InChIKey of [5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]-(3-propylmorpholin-4-yl)methanone?
The InChIKey is LHDGHHMOJRQHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-2-5-19-16-26-13-12-24(19)22(25)21-9-8-20(27-21)15-23-11-10-17-6-3-4-7-18(17)14-23/h3-4,6-9,19H,2,5,10-16H2,1H3.
What are the key properties of [5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]-(3-propylmorpholin-4-yl)methanone?
[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]-(3-propylmorpholin-4-yl)methanone has a molecular weight of 368.48 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]-(3-propylmorpholin-4-yl)methanone is sourced from PubChem (CID 118762449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).