(2,5-dimethylpiperazin-1-yl)-quinolin-8-ylmethanone

C16H19N3O — CID 64979365

IUPAC(2,5-dimethylpiperazin-1-yl)-quinolin-8-ylmethanone
SMILESCC1CN(C(=O)c2cccc3cccnc23)C(C)CN1
InChIInChI=1S/C16H19N3O/c1-11-10-19(12(2)9-18-11)16(20)14-7-3-5-13-6-4-8-17-15(13)14/h3-8,11-12,18H,9-10H2,1-2H3
InChIKeyDNZURAUTLIUSAR-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.06
Rot. Bonds1

About (2,5-dimethylpiperazin-1-yl)-quinolin-8-ylmethanone

(2,5-dimethylpiperazin-1-yl)-quinolin-8-ylmethanone (PubChem CID 64979365) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is (2,5-dimethylpiperazin-1-yl)-quinolin-8-ylmethanone.

Molecular Properties

Compound Name(2,5-dimethylpiperazin-1-yl)-quinolin-8-ylmethanone
PubChem CID64979365
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name(2,5-dimethylpiperazin-1-yl)-quinolin-8-ylmethanone
SMILESCC1CN(C(=O)c2cccc3cccnc23)C(C)CN1
InChIInChI=1S/C16H19N3O/c1-11-10-19(12(2)9-18-11)16(20)14-7-3-5-13-6-4-8-17-15(13)14/h3-8,11-12,18H,9-10H2,1-2H3
InChIKeyDNZURAUTLIUSAR-UHFFFAOYSA-N
XLogP2.06
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride
CID 119578686
(3,5-dimethylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride
CID 119564484
[2-(chloromethyl)-5-methylmorpholin-4-yl]-quinolin-8-ylmethanone
CID 81213690
8-[(2R,5S)-2,5-dimethylpiperazin-1-yl]quinoline
CID 96915582
(2,5-dimethylpiperazin-1-yl)-(3-hydroxyphenyl)methanone
CID 64979494
(2-chlorofuran-3-yl)-(2,5-dimethylpiperazin-1-yl)methanone
CID 106683666
4-hydroxy-1-(quinoline-8-carbonyl)pyrrolidine-2-carboxylic acid
CID 43356945
(3-amino-5-methylpiperidin-1-yl)-quinolin-8-ylmethanone
CID 79994421
(3-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)methanone
CID 64980085
(3-hydroxypyrrolidin-1-yl)-quinolin-8-ylmethanone
CID 62917957
1-benzofuran-2-yl-[(2S,5R)-2,5-dimethylpiperazin-1-yl]methanone
CID 141120566
(3,5-dihydroxyphenyl)-(2,5-dimethylpiperazin-1-yl)methanone
CID 107702962

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpiperazin-1-yl)-quinolin-8-ylmethanone?
The IUPAC name of (2,5-dimethylpiperazin-1-yl)-quinolin-8-ylmethanone (CID 64979365) is (2,5-dimethylpiperazin-1-yl)-quinolin-8-ylmethanone.
What is the SMILES notation for (2,5-dimethylpiperazin-1-yl)-quinolin-8-ylmethanone?
The canonical SMILES for (2,5-dimethylpiperazin-1-yl)-quinolin-8-ylmethanone is CC1CN(C(=O)c2cccc3cccnc23)C(C)CN1.
What is the InChIKey of (2,5-dimethylpiperazin-1-yl)-quinolin-8-ylmethanone?
The InChIKey is DNZURAUTLIUSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-10-19(12(2)9-18-11)16(20)14-7-3-5-13-6-4-8-17-15(13)14/h3-8,11-12,18H,9-10H2,1-2H3.
What are the key properties of (2,5-dimethylpiperazin-1-yl)-quinolin-8-ylmethanone?
(2,5-dimethylpiperazin-1-yl)-quinolin-8-ylmethanone has a molecular weight of 269.35 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpiperazin-1-yl)-quinolin-8-ylmethanone is sourced from PubChem (CID 64979365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).