1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride

C16H23ClN2O — CID 119733429

IUPAC1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
SMILESCC1CCN(C(=O)CC2CCCN2)c2ccccc21.Cl
InChIInChI=1S/C16H22N2O.ClH/c1-12-8-10-18(15-7-3-2-6-14(12)15)16(19)11-13-5-4-9-17-13;/h2-3,6-7,12-13,17H,4-5,8-11H2,1H3;1H
InChIKeyHFDBRTKHWXNOEF-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.09
Rot. Bonds2

About 1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride

1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride (PubChem CID 119733429) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
PubChem CID119733429
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
SMILESCC1CCN(C(=O)CC2CCCN2)c2ccccc21.Cl
InChIInChI=1S/C16H22N2O.ClH/c1-12-8-10-18(15-7-3-2-6-14(12)15)16(19)11-13-5-4-9-17-13;/h2-3,6-7,12-13,17H,4-5,8-11H2,1H3;1H
InChIKeyHFDBRTKHWXNOEF-UHFFFAOYSA-N
XLogP3.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride with MolForge

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Related Compounds

1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-piperidin-4-ylethanone;hydrochloride
CID 119733415
1-(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-2-pyrrolidin-2-ylethanone
CID 119738117
1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 71106683
2-pyrrolidin-2-yl-1-spiro[2H-indole-3,1'-cyclopropane]-1-ylethanone;hydrochloride
CID 119791586
2-(ethylamino)-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 113266315
1-(1-benzyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119891418
1-(2-methyl-2,3-dihydroindol-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119669450
2-anilino-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 119733412
3-[2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 55677623
1-(5-methoxy-2,3-dihydroindol-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119760453
(4-aminophenyl)-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 19607756
2-(1,3-benzodioxol-5-yl)-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 71938374

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride?
The IUPAC name of 1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride (CID 119733429) is 1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride.
What is the SMILES notation for 1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride?
The canonical SMILES for 1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride is CC1CCN(C(=O)CC2CCCN2)c2ccccc21.Cl.
What is the InChIKey of 1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride?
The InChIKey is HFDBRTKHWXNOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O.ClH/c1-12-8-10-18(15-7-3-2-6-14(12)15)16(19)11-13-5-4-9-17-13;/h2-3,6-7,12-13,17H,4-5,8-11H2,1H3;1H.
What are the key properties of 1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride?
1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride has a molecular weight of 294.83 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride is sourced from PubChem (CID 119733429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).