(3,5-dimethylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride

C16H21Cl2N3O — CID 119564484

IUPAC(3,5-dimethylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride
SMILESCC1CN(C(=O)c2cccc3cccnc23)CC(C)N1.Cl.Cl
InChIInChI=1S/C16H19N3O.2ClH/c1-11-9-19(10-12(2)18-11)16(20)14-7-3-5-13-6-4-8-17-15(13)14;;/h3-8,11-12,18H,9-10H2,1-2H3;2*1H
InChIKeyORPJNMWFOKFDML-UHFFFAOYSA-N
MW342.27 g/mol
LogP2.90
Rot. Bonds1

About (3,5-dimethylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride

(3,5-dimethylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride (PubChem CID 119564484) has the molecular formula C16H21Cl2N3O and a molecular weight of 342.27 g/mol. Its IUPAC name is (3,5-dimethylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name(3,5-dimethylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride
PubChem CID119564484
Molecular FormulaC16H21Cl2N3O
Molecular Weight342.27 g/mol
Exact Mass341.11
IUPAC Name(3,5-dimethylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride
SMILESCC1CN(C(=O)c2cccc3cccnc23)CC(C)N1.Cl.Cl
InChIInChI=1S/C16H19N3O.2ClH/c1-11-9-19(10-12(2)18-11)16(20)14-7-3-5-13-6-4-8-17-15(13)14;;/h3-8,11-12,18H,9-10H2,1-2H3;2*1H
InChIKeyORPJNMWFOKFDML-UHFFFAOYSA-N
XLogP2.90
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride
CID 119578686
(3-amino-5-methylpiperidin-1-yl)-quinolin-8-ylmethanone
CID 79994421
(2,5-dimethylpiperazin-1-yl)-quinolin-8-ylmethanone
CID 64979365
[4-(methylamino)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride
CID 119562051
(3-hydroxypyrrolidin-1-yl)-quinolin-8-ylmethanone
CID 62917957
(4-aminopiperidin-1-yl)-quinolin-8-ylmethanone;dihydrochloride
CID 119375001
(3,5-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone;dihydrochloride
CID 119564691
(3-hydroxypiperidin-1-yl)-quinolin-8-ylmethanone
CID 43415800
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-quinolin-8-ylmethanone
CID 115966148
[3-(aminomethyl)-4-methylpiperidin-1-yl]-quinolin-8-ylmethanone
CID 114960494
[2-(hydroxymethyl)morpholin-4-yl]-quinolin-8-ylmethanone
CID 81208124
(6S)-1-acetyl-4-(quinoline-8-carbonyl)-1,4-diazepane-6-carboxamide
CID 124999705

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride?
The IUPAC name of (3,5-dimethylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride (CID 119564484) is (3,5-dimethylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride.
What is the SMILES notation for (3,5-dimethylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride?
The canonical SMILES for (3,5-dimethylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride is CC1CN(C(=O)c2cccc3cccnc23)CC(C)N1.Cl.Cl.
What is the InChIKey of (3,5-dimethylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride?
The InChIKey is ORPJNMWFOKFDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O.2ClH/c1-11-9-19(10-12(2)18-11)16(20)14-7-3-5-13-6-4-8-17-15(13)14;;/h3-8,11-12,18H,9-10H2,1-2H3;2*1H.
What are the key properties of (3,5-dimethylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride?
(3,5-dimethylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride has a molecular weight of 342.27 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride is sourced from PubChem (CID 119564484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).