6-[3-(dimethylamino)propoxy]-3-phenyl-2-pyridin-3-ylinden-1-one;hydrochloride

C25H25ClN2O2 — CID 70314029

IUPAC6-[3-(dimethylamino)propoxy]-3-phenyl-2-pyridin-3-ylinden-1-one;hydrochloride
SMILESCN(C)CCCOc1ccc2c(c1)C(=O)C(c1cccnc1)=C2c1ccccc1.Cl
InChIInChI=1S/C25H24N2O2.ClH/c1-27(2)14-7-15-29-20-11-12-21-22(16-20)25(28)24(19-10-6-13-26-17-19)23(21)18-8-4-3-5-9-18;/h3-6,8-13,16-17H,7,14-15H2,1-2H3;1H
InChIKeyOGFQWGXXROLORC-UHFFFAOYSA-N
MW420.94 g/mol
LogP4.99
Rot. Bonds7

About 6-[3-(dimethylamino)propoxy]-3-phenyl-2-pyridin-3-ylinden-1-one;hydrochloride

6-[3-(dimethylamino)propoxy]-3-phenyl-2-pyridin-3-ylinden-1-one;hydrochloride (PubChem CID 70314029) has the molecular formula C25H25ClN2O2 and a molecular weight of 420.94 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propoxy]-3-phenyl-2-pyridin-3-ylinden-1-one;hydrochloride.

Molecular Properties

Compound Name6-[3-(dimethylamino)propoxy]-3-phenyl-2-pyridin-3-ylinden-1-one;hydrochloride
PubChem CID70314029
Molecular FormulaC25H25ClN2O2
Molecular Weight420.94 g/mol
Exact Mass420.16
IUPAC Name6-[3-(dimethylamino)propoxy]-3-phenyl-2-pyridin-3-ylinden-1-one;hydrochloride
SMILESCN(C)CCCOc1ccc2c(c1)C(=O)C(c1cccnc1)=C2c1ccccc1.Cl
InChIInChI=1S/C25H24N2O2.ClH/c1-27(2)14-7-15-29-20-11-12-21-22(16-20)25(28)24(19-10-6-13-26-17-19)23(21)18-8-4-3-5-9-18;/h3-6,8-13,16-17H,7,14-15H2,1-2H3;1H
InChIKeyOGFQWGXXROLORC-UHFFFAOYSA-N
XLogP4.99
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.94
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)propoxy]-3-phenyl-2-pyridin-3-ylinden-1-one;hydrochloride?
The IUPAC name of 6-[3-(dimethylamino)propoxy]-3-phenyl-2-pyridin-3-ylinden-1-one;hydrochloride (CID 70314029) is 6-[3-(dimethylamino)propoxy]-3-phenyl-2-pyridin-3-ylinden-1-one;hydrochloride.
What is the SMILES notation for 6-[3-(dimethylamino)propoxy]-3-phenyl-2-pyridin-3-ylinden-1-one;hydrochloride?
The canonical SMILES for 6-[3-(dimethylamino)propoxy]-3-phenyl-2-pyridin-3-ylinden-1-one;hydrochloride is CN(C)CCCOc1ccc2c(c1)C(=O)C(c1cccnc1)=C2c1ccccc1.Cl.
What is the InChIKey of 6-[3-(dimethylamino)propoxy]-3-phenyl-2-pyridin-3-ylinden-1-one;hydrochloride?
The InChIKey is OGFQWGXXROLORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2.ClH/c1-27(2)14-7-15-29-20-11-12-21-22(16-20)25(28)24(19-10-6-13-26-17-19)23(21)18-8-4-3-5-9-18;/h3-6,8-13,16-17H,7,14-15H2,1-2H3;1H.
What are the key properties of 6-[3-(dimethylamino)propoxy]-3-phenyl-2-pyridin-3-ylinden-1-one;hydrochloride?
6-[3-(dimethylamino)propoxy]-3-phenyl-2-pyridin-3-ylinden-1-one;hydrochloride has a molecular weight of 420.94 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)propoxy]-3-phenyl-2-pyridin-3-ylinden-1-one;hydrochloride is sourced from PubChem (CID 70314029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).