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

C23H25ClN2O2 — CID 19599989

IUPAC[2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]-(4-phenylphenyl)methanone;hydrochloride
SMILESCN(C)Cc1cc2c(o1)CCN(C(=O)c1ccc(-c3ccccc3)cc1)C2.Cl
InChIInChI=1S/C23H24N2O2.ClH/c1-24(2)16-21-14-20-15-25(13-12-22(20)27-21)23(26)19-10-8-18(9-11-19)17-6-4-3-5-7-17;/h3-11,14H,12-13,15-16H2,1-2H3;1H
InChIKeyODVODKDWVQVVLQ-UHFFFAOYSA-N
MW396.92 g/mol
LogP4.63
Rot. Bonds4

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

[2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]-(4-phenylphenyl)methanone;hydrochloride (PubChem CID 19599989) has the molecular formula C23H25ClN2O2 and a molecular weight of 396.92 g/mol. Its IUPAC name is [2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]-(4-phenylphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]-(4-phenylphenyl)methanone;hydrochloride
PubChem CID19599989
Molecular FormulaC23H25ClN2O2
Molecular Weight396.92 g/mol
Exact Mass396.16
IUPAC Name[2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]-(4-phenylphenyl)methanone;hydrochloride
SMILESCN(C)Cc1cc2c(o1)CCN(C(=O)c1ccc(-c3ccccc3)cc1)C2.Cl
InChIInChI=1S/C23H24N2O2.ClH/c1-24(2)16-21-14-20-15-25(13-12-22(20)27-21)23(26)19-10-8-18(9-11-19)17-6-4-3-5-7-17;/h3-11,14H,12-13,15-16H2,1-2H3;1H
InChIKeyODVODKDWVQVVLQ-UHFFFAOYSA-N
XLogP4.63
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]-(4-phenylphenyl)methanone;hydrochloride?
The IUPAC name of [2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]-(4-phenylphenyl)methanone;hydrochloride (CID 19599989) is [2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]-(4-phenylphenyl)methanone;hydrochloride.
What is the SMILES notation for [2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]-(4-phenylphenyl)methanone;hydrochloride?
The canonical SMILES for [2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]-(4-phenylphenyl)methanone;hydrochloride is CN(C)Cc1cc2c(o1)CCN(C(=O)c1ccc(-c3ccccc3)cc1)C2.Cl.
What is the InChIKey of [2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]-(4-phenylphenyl)methanone;hydrochloride?
The InChIKey is ODVODKDWVQVVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2.ClH/c1-24(2)16-21-14-20-15-25(13-12-22(20)27-21)23(26)19-10-8-18(9-11-19)17-6-4-3-5-7-17;/h3-11,14H,12-13,15-16H2,1-2H3;1H.
What are the key properties of [2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]-(4-phenylphenyl)methanone;hydrochloride?
[2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]-(4-phenylphenyl)methanone;hydrochloride has a molecular weight of 396.92 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]-(4-phenylphenyl)methanone;hydrochloride is sourced from PubChem (CID 19599989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).