6-[3-(dimethylamino)propoxy]-4-phenyl-3,4-dihydro-1H-quinolin-2-one;hydrochloride

C20H25ClN2O2 — CID 131710541

IUPAC6-[3-(dimethylamino)propoxy]-4-phenyl-3,4-dihydro-1H-quinolin-2-one;hydrochloride
SMILESCN(C)CCCOc1ccc2c(c1)C(c1ccccc1)CC(=O)N2.Cl
InChIInChI=1S/C20H24N2O2.ClH/c1-22(2)11-6-12-24-16-9-10-19-18(13-16)17(14-20(23)21-19)15-7-4-3-5-8-15;/h3-5,7-10,13,17H,6,11-12,14H2,1-2H3,(H,21,23);1H
InChIKeyMZLVYCRUFWUMES-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.91
Rot. Bonds6

About 6-[3-(dimethylamino)propoxy]-4-phenyl-3,4-dihydro-1H-quinolin-2-one;hydrochloride

6-[3-(dimethylamino)propoxy]-4-phenyl-3,4-dihydro-1H-quinolin-2-one;hydrochloride (PubChem CID 131710541) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propoxy]-4-phenyl-3,4-dihydro-1H-quinolin-2-one;hydrochloride.

Molecular Properties

Compound Name6-[3-(dimethylamino)propoxy]-4-phenyl-3,4-dihydro-1H-quinolin-2-one;hydrochloride
PubChem CID131710541
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name6-[3-(dimethylamino)propoxy]-4-phenyl-3,4-dihydro-1H-quinolin-2-one;hydrochloride
SMILESCN(C)CCCOc1ccc2c(c1)C(c1ccccc1)CC(=O)N2.Cl
InChIInChI=1S/C20H24N2O2.ClH/c1-22(2)11-6-12-24-16-9-10-19-18(13-16)17(14-20(23)21-19)15-7-4-3-5-8-15;/h3-5,7-10,13,17H,6,11-12,14H2,1-2H3,(H,21,23);1H
InChIKeyMZLVYCRUFWUMES-UHFFFAOYSA-N
XLogP3.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-4-phenyl-3,4-dihydro-1H-quinolin-2-one;ethane
CID 91416238
6,7-dimethoxy-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 6624972
6-benzoyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one;ethane
CID 91498028
(9S)-9-(4-propoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 7263181
(4R)-6-methoxy-N-methyl-N-[3-(3-methylphenoxy)propyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97122293
(8S)-8-phenyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 1252620
7-methyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 105499107
3-[4-[4-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]butoxy]phenyl]pyrrolidine-2,5-dione
CID 3071135
(1R)-1-(3-ethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 2231068
6,7-dimethoxy-4-[3-(3-morpholin-4-ylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 171389319
(1R)-1-(2,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 801649
(4R)-4-(2-butoxyphenyl)-6,7-diethoxy-3,4-dihydro-1H-quinolin-2-one
CID 27521012

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)propoxy]-4-phenyl-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The IUPAC name of 6-[3-(dimethylamino)propoxy]-4-phenyl-3,4-dihydro-1H-quinolin-2-one;hydrochloride (CID 131710541) is 6-[3-(dimethylamino)propoxy]-4-phenyl-3,4-dihydro-1H-quinolin-2-one;hydrochloride.
What is the SMILES notation for 6-[3-(dimethylamino)propoxy]-4-phenyl-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The canonical SMILES for 6-[3-(dimethylamino)propoxy]-4-phenyl-3,4-dihydro-1H-quinolin-2-one;hydrochloride is CN(C)CCCOc1ccc2c(c1)C(c1ccccc1)CC(=O)N2.Cl.
What is the InChIKey of 6-[3-(dimethylamino)propoxy]-4-phenyl-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The InChIKey is MZLVYCRUFWUMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2.ClH/c1-22(2)11-6-12-24-16-9-10-19-18(13-16)17(14-20(23)21-19)15-7-4-3-5-8-15;/h3-5,7-10,13,17H,6,11-12,14H2,1-2H3,(H,21,23);1H.
What are the key properties of 6-[3-(dimethylamino)propoxy]-4-phenyl-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
6-[3-(dimethylamino)propoxy]-4-phenyl-3,4-dihydro-1H-quinolin-2-one;hydrochloride has a molecular weight of 360.89 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)propoxy]-4-phenyl-3,4-dihydro-1H-quinolin-2-one;hydrochloride is sourced from PubChem (CID 131710541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).