(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone

C18H20ClN5O2 — CID 138699399

IUPAC(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESO=C(N1CCN(c2cnccn2)CC1)N1CCC(O)c2cc(Cl)ccc21
InChIInChI=1S/C18H20ClN5O2/c19-13-1-2-15-14(11-13)16(25)3-6-24(15)18(26)23-9-7-22(8-10-23)17-12-20-4-5-21-17/h1-2,4-5,11-12,16,25H,3,6-10H2
InChIKeyHZIUTLNLTKJTHT-UHFFFAOYSA-N
MW373.84 g/mol
LogP2.32
Rot. Bonds1

About (6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone

(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone (PubChem CID 138699399) has the molecular formula C18H20ClN5O2 and a molecular weight of 373.84 g/mol. Its IUPAC name is (6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
PubChem CID138699399
Molecular FormulaC18H20ClN5O2
Molecular Weight373.84 g/mol
Exact Mass373.13
IUPAC Name(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESO=C(N1CCN(c2cnccn2)CC1)N1CCC(O)c2cc(Cl)ccc21
InChIInChI=1S/C18H20ClN5O2/c19-13-1-2-15-14(11-13)16(25)3-6-24(15)18(26)23-9-7-22(8-10-23)17-12-20-4-5-21-17/h1-2,4-5,11-12,16,25H,3,6-10H2
InChIKeyHZIUTLNLTKJTHT-UHFFFAOYSA-N
XLogP2.32
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone with MolForge

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Related Compounds

(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-cyclopentylmethanone
CID 110636327
(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-cyclohexylmethanone
CID 110636324
(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-[4-[(E)-1-(ethylideneamino)-2-fluorobut-1-en-3-ynyl]piperazin-1-yl]methanone
CID 174076175
(4-chlorophenyl)-(4-pyrazin-2-yl-1,4-diazepan-1-yl)methanone
CID 122132459
1-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-ethylbutan-1-one
CID 110636328
(2,3-dichlorophenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023174
(2-bromophenyl)-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110636338
N-(5-chloro-2-methylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222631
[(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 136584811
N-(3-chloro-4-fluorophenyl)-4-pyrazin-2-ylpiperazine-1-carbothioamide
CID 3794347
(2R)-2-chloro-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 93378573
(5-chloropyrazin-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 107244924

Frequently Asked Questions

What is the IUPAC name of (6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone (CID 138699399) is (6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone is O=C(N1CCN(c2cnccn2)CC1)N1CCC(O)c2cc(Cl)ccc21.
What is the InChIKey of (6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The InChIKey is HZIUTLNLTKJTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O2/c19-13-1-2-15-14(11-13)16(25)3-6-24(15)18(26)23-9-7-22(8-10-23)17-12-20-4-5-21-17/h1-2,4-5,11-12,16,25H,3,6-10H2.
What are the key properties of (6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone has a molecular weight of 373.84 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 138699399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).