(3-methylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride

C15H19Cl2N3O — CID 119578686

IUPAC(3-methylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride
SMILESCC1CN(C(=O)c2cccc3cccnc23)CCN1.Cl.Cl
InChIInChI=1S/C15H17N3O.2ClH/c1-11-10-18(9-8-16-11)15(19)13-6-2-4-12-5-3-7-17-14(12)13;;/h2-7,11,16H,8-10H2,1H3;2*1H
InChIKeyNEACKGPGUOOVLO-UHFFFAOYSA-N
MW328.24 g/mol
LogP2.51
Rot. Bonds1

About (3-methylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride

(3-methylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride (PubChem CID 119578686) has the molecular formula C15H19Cl2N3O and a molecular weight of 328.24 g/mol. Its IUPAC name is (3-methylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name(3-methylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride
PubChem CID119578686
Molecular FormulaC15H19Cl2N3O
Molecular Weight328.24 g/mol
Exact Mass327.09
IUPAC Name(3-methylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride
SMILESCC1CN(C(=O)c2cccc3cccnc23)CCN1.Cl.Cl
InChIInChI=1S/C15H17N3O.2ClH/c1-11-10-18(9-8-16-11)15(19)13-6-2-4-12-5-3-7-17-14(12)13;;/h2-7,11,16H,8-10H2,1H3;2*1H
InChIKeyNEACKGPGUOOVLO-UHFFFAOYSA-N
XLogP2.51
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride
CID 119564484
(3-methylpiperazin-1-yl)-(2-methyl-3-pyridinyl)methanone;dihydrochloride
CID 119578639
benzo[f]quinolin-5-yl-(3-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119579435
(2-chloro-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone
CID 71639387
(2,5-dimethylpiperazin-1-yl)-quinolin-8-ylmethanone
CID 64979365
(3-hydroxypyrrolidin-1-yl)-quinolin-8-ylmethanone
CID 62917957
(3-hydroxy-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 82829933
(3-methylpiperazin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 119577878
(3-amino-5-methylpiperidin-1-yl)-quinolin-8-ylmethanone
CID 79994421
(2,3-dihydroxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 104894013
(3-hydroxypiperidin-1-yl)-quinolin-8-ylmethanone
CID 43415800
[4-(methylamino)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride
CID 119562051

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride?
The IUPAC name of (3-methylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride (CID 119578686) is (3-methylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride.
What is the SMILES notation for (3-methylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride?
The canonical SMILES for (3-methylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride is CC1CN(C(=O)c2cccc3cccnc23)CCN1.Cl.Cl.
What is the InChIKey of (3-methylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride?
The InChIKey is NEACKGPGUOOVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O.2ClH/c1-11-10-18(9-8-16-11)15(19)13-6-2-4-12-5-3-7-17-14(12)13;;/h2-7,11,16H,8-10H2,1H3;2*1H.
What are the key properties of (3-methylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride?
(3-methylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride has a molecular weight of 328.24 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride is sourced from PubChem (CID 119578686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).