1-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]quinolin-4-one;hydrochloride

C17H22ClN3O2 — CID 119650725

IUPAC1-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]quinolin-4-one;hydrochloride
SMILESCNCC1CCCN1C(=O)Cn1ccc(=O)c2ccccc21.Cl
InChIInChI=1S/C17H21N3O2.ClH/c1-18-11-13-5-4-9-20(13)17(22)12-19-10-8-16(21)14-6-2-3-7-15(14)19;/h2-3,6-8,10,13,18H,4-5,9,11-12H2,1H3;1H
InChIKeyTZFVNNHHFQPMOW-UHFFFAOYSA-N
MW335.83 g/mol
LogP1.63
Rot. Bonds4

About 1-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]quinolin-4-one;hydrochloride

1-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]quinolin-4-one;hydrochloride (PubChem CID 119650725) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.83 g/mol. Its IUPAC name is 1-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]quinolin-4-one;hydrochloride.

Molecular Properties

Compound Name1-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]quinolin-4-one;hydrochloride
PubChem CID119650725
Molecular FormulaC17H22ClN3O2
Molecular Weight335.83 g/mol
Exact Mass335.14
IUPAC Name1-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]quinolin-4-one;hydrochloride
SMILESCNCC1CCCN1C(=O)Cn1ccc(=O)c2ccccc21.Cl
InChIInChI=1S/C17H21N3O2.ClH/c1-18-11-13-5-4-9-20(13)17(22)12-19-10-8-16(21)14-6-2-3-7-15(14)19;/h2-3,6-8,10,13,18H,4-5,9,11-12H2,1H3;1H
InChIKeyTZFVNNHHFQPMOW-UHFFFAOYSA-N
XLogP1.63
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-oxo-2-[(2R)-2-propanoylpiperidin-1-yl]ethyl]quinolin-4-one
CID 97330448
3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one;hydrochloride
CID 119651884
3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione;hydrochloride
CID 119651054
3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione
CID 119651055
1-[2-[(3R)-3-aminopiperidin-1-yl]-2-oxoethyl]quinolin-4-one
CID 124622920
1-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-2-oxoethyl]quinolin-4-one
CID 97093863
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
CID 119650372
2-(1H-indol-3-yl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 115316334
1-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]quinolin-4-one
CID 95588154
1-[2-oxo-2-[(2R)-2-propyl-1,3-thiazolidin-3-yl]ethyl]quinolin-4-one
CID 95772998
1-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one;hydrochloride
CID 119651125
1-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 124569777

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]quinolin-4-one;hydrochloride?
The IUPAC name of 1-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]quinolin-4-one;hydrochloride (CID 119650725) is 1-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]quinolin-4-one;hydrochloride.
What is the SMILES notation for 1-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]quinolin-4-one;hydrochloride?
The canonical SMILES for 1-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]quinolin-4-one;hydrochloride is CNCC1CCCN1C(=O)Cn1ccc(=O)c2ccccc21.Cl.
What is the InChIKey of 1-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]quinolin-4-one;hydrochloride?
The InChIKey is TZFVNNHHFQPMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2.ClH/c1-18-11-13-5-4-9-20(13)17(22)12-19-10-8-16(21)14-6-2-3-7-15(14)19;/h2-3,6-8,10,13,18H,4-5,9,11-12H2,1H3;1H.
What are the key properties of 1-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]quinolin-4-one;hydrochloride?
1-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]quinolin-4-one;hydrochloride has a molecular weight of 335.83 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]quinolin-4-one;hydrochloride is sourced from PubChem (CID 119650725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).