1-(1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-6-yl)ethanone

C15H20N2O — CID 84751024

IUPAC1-(1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-6-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)CCCN2C1CCNC1
InChIInChI=1S/C15H20N2O/c1-11(18)12-4-5-15-13(9-12)3-2-8-17(15)14-6-7-16-10-14/h4-5,9,14,16H,2-3,6-8,10H2,1H3
InChIKeyBULABPFVWCAQOK-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.00
Rot. Bonds2

About 1-(1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-6-yl)ethanone

1-(1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-6-yl)ethanone (PubChem CID 84751024) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-6-yl)ethanone.

Molecular Properties

Compound Name1-(1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-6-yl)ethanone
PubChem CID84751024
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-(1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-6-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)CCCN2C1CCNC1
InChIInChI=1S/C15H20N2O/c1-11(18)12-4-5-15-13(9-12)3-2-8-17(15)14-6-7-16-10-14/h4-5,9,14,16H,2-3,6-8,10H2,1H3
InChIKeyBULABPFVWCAQOK-UHFFFAOYSA-N
XLogP2.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3,4,4a,5,6,7-octahydropyrazino[1,2-a][1]benzazepine-9-carboxylic acid
CID 68801411
6-bromo-1-piperidin-4-yl-3,4-dihydro-2H-quinoline
CID 171525009
1-[1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 110737681
5-acetyl-1-piperidin-4-yl-3H-indol-2-one
CID 84758259
1-(2-piperidin-4-yl-1,3-dihydroisoindol-5-yl)ethanone
CID 82164009
1-[1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662502
1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157417
1-pyrrolidin-3-yl-2,3-dihydroindole;dihydrochloride
CID 53407976
1-(1-tert-butylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone
CID 102662224
1-[1-(oxan-4-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662492
1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3-acetylpiperidin-4-yl)propan-1-one
CID 174296543
1-[1-(2-chloroprop-2-enyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662516

Frequently Asked Questions

What is the IUPAC name of 1-(1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-6-yl)ethanone?
The IUPAC name of 1-(1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-6-yl)ethanone (CID 84751024) is 1-(1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-6-yl)ethanone.
What is the SMILES notation for 1-(1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-6-yl)ethanone?
The canonical SMILES for 1-(1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-6-yl)ethanone is CC(=O)c1ccc2c(c1)CCCN2C1CCNC1.
What is the InChIKey of 1-(1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-6-yl)ethanone?
The InChIKey is BULABPFVWCAQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11(18)12-4-5-15-13(9-12)3-2-8-17(15)14-6-7-16-10-14/h4-5,9,14,16H,2-3,6-8,10H2,1H3.
What are the key properties of 1-(1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-6-yl)ethanone?
1-(1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-6-yl)ethanone has a molecular weight of 244.34 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-6-yl)ethanone is sourced from PubChem (CID 84751024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).