(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)propan-1-one

C18H22N4O — CID 95327955

IUPAC(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)propan-1-one
SMILESC[C@H](C(=O)N1CCCc2ccccc21)N1CC(n2cccn2)C1
InChIInChI=1S/C18H22N4O/c1-14(20-12-16(13-20)22-11-5-9-19-22)18(23)21-10-4-7-15-6-2-3-8-17(15)21/h2-3,5-6,8-9,11,14,16H,4,7,10,12-13H2,1H3/t14-/m1/s1
InChIKeyRLVMLVPSIZEPFA-CQSZACIVSA-N
MW310.40 g/mol
LogP2.11
Rot. Bonds3

About (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)propan-1-one

(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)propan-1-one (PubChem CID 95327955) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)propan-1-one
PubChem CID95327955
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)propan-1-one
SMILESC[C@H](C(=O)N1CCCc2ccccc21)N1CC(n2cccn2)C1
InChIInChI=1S/C18H22N4O/c1-14(20-12-16(13-20)22-11-5-9-19-22)18(23)21-10-4-7-15-6-2-3-8-17(15)21/h2-3,5-6,8-9,11,14,16H,4,7,10,12-13H2,1H3/t14-/m1/s1
InChIKeyRLVMLVPSIZEPFA-CQSZACIVSA-N
XLogP2.11
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one
CID 78786405
(3S,4S)-1-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-4-methylpyrrolidine-3-carboxylic acid
CID 122120959
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanone
CID 56781241
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one;hydrochloride
CID 120761030
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 51168048
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 4883425
1-(2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 42911822
2-(azepan-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 134062617
2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 75386892
(2S)-2-(4-benzoylpiperazin-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 7994047
2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 3271608
(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 35012489

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)propan-1-one?
The IUPAC name of (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)propan-1-one (CID 95327955) is (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)propan-1-one.
What is the SMILES notation for (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)propan-1-one?
The canonical SMILES for (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)propan-1-one is C[C@H](C(=O)N1CCCc2ccccc21)N1CC(n2cccn2)C1.
What is the InChIKey of (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)propan-1-one?
The InChIKey is RLVMLVPSIZEPFA-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N4O/c1-14(20-12-16(13-20)22-11-5-9-19-22)18(23)21-10-4-7-15-6-2-3-8-17(15)21/h2-3,5-6,8-9,11,14,16H,4,7,10,12-13H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)propan-1-one?
(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)propan-1-one has a molecular weight of 310.40 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)propan-1-one is sourced from PubChem (CID 95327955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).