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

C16H22N2O — CID 162353371

IUPAC2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylethanone
SMILESCC1CCc2ccccc2N1CC(=O)N1CCCC1
InChIInChI=1S/C16H22N2O/c1-13-8-9-14-6-2-3-7-15(14)18(13)12-16(19)17-10-4-5-11-17/h2-3,6-7,13H,4-5,8-12H2,1H3
InChIKeyCMSRANMIWIKGJP-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.45
Rot. Bonds2

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

2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 162353371) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylethanone
PubChem CID162353371
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylethanone
SMILESCC1CCc2ccccc2N1CC(=O)N1CCCC1
InChIInChI=1S/C16H22N2O/c1-13-8-9-14-6-2-3-7-15(14)18(13)12-16(19)17-10-4-5-11-17/h2-3,6-7,13H,4-5,8-12H2,1H3
InChIKeyCMSRANMIWIKGJP-UHFFFAOYSA-N
XLogP2.45
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-piperidin-1-ylethanone
CID 63219146
3-methyl-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one
CID 79395357
methyl 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetate
CID 43089229
[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 42929862
1-(4-aminopiperidin-1-yl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 124693452
2-[4-[2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 26516896
N-(cyclopentylcarbamoyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 46802249
1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 95906955
2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 8593706
N-(cyclohexylcarbamoyl)-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide
CID 8593716
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 111539101
1-(1,3-dihydroisoindol-2-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 7764901

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylethanone (CID 162353371) is 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylethanone is CC1CCc2ccccc2N1CC(=O)N1CCCC1.
What is the InChIKey of 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is CMSRANMIWIKGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-13-8-9-14-6-2-3-7-15(14)18(13)12-16(19)17-10-4-5-11-17/h2-3,6-7,13H,4-5,8-12H2,1H3.
What are the key properties of 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylethanone?
2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 258.37 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 162353371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).