[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-quinolin-2-ylmethanone

C21H21N5O — CID 122279259

IUPAC[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1CCN(c2ccc(C3CC3)nn2)CC1
InChIInChI=1S/C21H21N5O/c27-21(19-8-7-15-3-1-2-4-17(15)22-19)26-13-11-25(12-14-26)20-10-9-18(23-24-20)16-5-6-16/h1-4,7-10,16H,5-6,11-14H2
InChIKeyFIVDOFRTLNTILX-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.86
Rot. Bonds3

About [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-quinolin-2-ylmethanone

[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-quinolin-2-ylmethanone (PubChem CID 122279259) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-quinolin-2-ylmethanone.

Molecular Properties

Compound Name[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-quinolin-2-ylmethanone
PubChem CID122279259
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1CCN(c2ccc(C3CC3)nn2)CC1
InChIInChI=1S/C21H21N5O/c27-21(19-8-7-15-3-1-2-4-17(15)22-19)26-13-11-25(12-14-26)20-10-9-18(23-24-20)16-5-6-16/h1-4,7-10,16H,5-6,11-14H2
InChIKeyFIVDOFRTLNTILX-UHFFFAOYSA-N
XLogP2.86
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 122336357
[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 42110657
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone
CID 122279226
(4-pyridin-2-ylpiperazin-1-yl)-quinolin-2-ylmethanone
CID 3691532
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(2-iodophenyl)methanone
CID 122279263
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 122279513
[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 122347093
cyclopropyl-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122279215
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 122279228
[4-(chloromethyl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 63398231
(4-methylsulfonylpiperidin-1-yl)-quinolin-2-ylmethanone
CID 90586527
azepan-1-yl(quinolin-2-yl)methanone
CID 7779308

Frequently Asked Questions

What is the IUPAC name of [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-quinolin-2-ylmethanone?
The IUPAC name of [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-quinolin-2-ylmethanone (CID 122279259) is [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-quinolin-2-ylmethanone.
What is the SMILES notation for [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-quinolin-2-ylmethanone?
The canonical SMILES for [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-quinolin-2-ylmethanone is O=C(c1ccc2ccccc2n1)N1CCN(c2ccc(C3CC3)nn2)CC1.
What is the InChIKey of [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-quinolin-2-ylmethanone?
The InChIKey is FIVDOFRTLNTILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c27-21(19-8-7-15-3-1-2-4-17(15)22-19)26-13-11-25(12-14-26)20-10-9-18(23-24-20)16-5-6-16/h1-4,7-10,16H,5-6,11-14H2.
What are the key properties of [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-quinolin-2-ylmethanone?
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-quinolin-2-ylmethanone has a molecular weight of 359.43 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-quinolin-2-ylmethanone is sourced from PubChem (CID 122279259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).