1-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]-2-naphthalen-2-yloxyethanone;hydrochloride

C22H25ClN2O3 — CID 19600133

IUPAC1-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]-2-naphthalen-2-yloxyethanone;hydrochloride
SMILESCN(C)Cc1cc2c(o1)CN(C(=O)COc1ccc3ccccc3c1)CC2.Cl
InChIInChI=1S/C22H24N2O3.ClH/c1-23(2)13-20-12-18-9-10-24(14-21(18)27-20)22(25)15-26-19-8-7-16-5-3-4-6-17(16)11-19;/h3-8,11-12H,9-10,13-15H2,1-2H3;1H
InChIKeyWBSKTZKKRGLAGI-UHFFFAOYSA-N
MW400.91 g/mol
LogP3.88
Rot. Bonds5

About 1-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]-2-naphthalen-2-yloxyethanone;hydrochloride

1-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]-2-naphthalen-2-yloxyethanone;hydrochloride (PubChem CID 19600133) has the molecular formula C22H25ClN2O3 and a molecular weight of 400.91 g/mol. Its IUPAC name is 1-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]-2-naphthalen-2-yloxyethanone;hydrochloride.

Molecular Properties

Compound Name1-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]-2-naphthalen-2-yloxyethanone;hydrochloride
PubChem CID19600133
Molecular FormulaC22H25ClN2O3
Molecular Weight400.91 g/mol
Exact Mass400.16
IUPAC Name1-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]-2-naphthalen-2-yloxyethanone;hydrochloride
SMILESCN(C)Cc1cc2c(o1)CN(C(=O)COc1ccc3ccccc3c1)CC2.Cl
InChIInChI=1S/C22H24N2O3.ClH/c1-23(2)13-20-12-18-9-10-24(14-21(18)27-20)22(25)15-26-19-8-7-16-5-3-4-6-17(16)11-19;/h3-8,11-12H,9-10,13-15H2,1-2H3;1H
InChIKeyWBSKTZKKRGLAGI-UHFFFAOYSA-N
XLogP3.88
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]-2-naphthalen-2-yloxyethanone;hydrochloride?
The IUPAC name of 1-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]-2-naphthalen-2-yloxyethanone;hydrochloride (CID 19600133) is 1-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]-2-naphthalen-2-yloxyethanone;hydrochloride.
What is the SMILES notation for 1-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]-2-naphthalen-2-yloxyethanone;hydrochloride?
The canonical SMILES for 1-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]-2-naphthalen-2-yloxyethanone;hydrochloride is CN(C)Cc1cc2c(o1)CN(C(=O)COc1ccc3ccccc3c1)CC2.Cl.
What is the InChIKey of 1-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]-2-naphthalen-2-yloxyethanone;hydrochloride?
The InChIKey is WBSKTZKKRGLAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3.ClH/c1-23(2)13-20-12-18-9-10-24(14-21(18)27-20)22(25)15-26-19-8-7-16-5-3-4-6-17(16)11-19;/h3-8,11-12H,9-10,13-15H2,1-2H3;1H.
What are the key properties of 1-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]-2-naphthalen-2-yloxyethanone;hydrochloride?
1-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]-2-naphthalen-2-yloxyethanone;hydrochloride has a molecular weight of 400.91 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]-2-naphthalen-2-yloxyethanone;hydrochloride is sourced from PubChem (CID 19600133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).