(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one

C20H25N5O — CID 35012489

IUPAC(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
SMILESC[C@H](C(=O)N1CCCc2ccccc21)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C20H25N5O/c1-16(20(26)25-10-4-6-17-5-2-3-7-18(17)25)23-11-13-24(14-12-23)19-15-21-8-9-22-19/h2-3,5,7-9,15-16H,4,6,10-14H2,1H3/t16-/m1/s1
InChIKeyHDIGWDYBLYWMKI-MRXNPFEDSA-N
MW351.45 g/mol
LogP1.97
Rot. Bonds3

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

(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 35012489) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID35012489
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
SMILESC[C@H](C(=O)N1CCCc2ccccc21)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C20H25N5O/c1-16(20(26)25-10-4-6-17-5-2-3-7-18(17)25)23-11-13-24(14-12-23)19-15-21-8-9-22-19/h2-3,5,7-9,15-16H,4,6,10-14H2,1H3/t16-/m1/s1
InChIKeyHDIGWDYBLYWMKI-MRXNPFEDSA-N
XLogP1.97
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 4883425
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 51168048
(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 2442399
N-phenyl-2-(4-pyrazin-2-ylpiperazin-1-yl)propanamide
CID 18167936
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one
CID 78786405
(2S)-2-(4-benzoylpiperazin-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 7994047
1-(2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 42911822
2-(4-pyrazin-2-ylpiperazin-1-yl)propanoic acid
CID 62311866
1-(2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one
CID 4818334
2-(azepan-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 134062617
(2S)-1-(2,3-dihydroindol-1-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 8725314
(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)propan-1-one
CID 95327955

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one (CID 35012489) is (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one is C[C@H](C(=O)N1CCCc2ccccc21)N1CCN(c2cnccn2)CC1.
What is the InChIKey of (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is HDIGWDYBLYWMKI-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25N5O/c1-16(20(26)25-10-4-6-17-5-2-3-7-18(17)25)23-11-13-24(14-12-23)19-15-21-8-9-22-19/h2-3,5,7-9,15-16H,4,6,10-14H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one?
(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 351.45 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 35012489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).