3-[[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one

C21H23N5O2 — CID 56703710

IUPAC3-[[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one
SMILESO=c1cc(N2CCN(Cc3cc4cc5c(cc4[nH]c3=O)CCC5)CC2)cn[nH]1
InChIInChI=1S/C21H23N5O2/c27-20-11-18(12-22-24-20)26-6-4-25(5-7-26)13-17-9-16-8-14-2-1-3-15(14)10-19(16)23-21(17)28/h8-12H,1-7,13H2,(H,23,28)(H,24,27)
InChIKeyGOKSMXHIIITVEI-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.42
Rot. Bonds3

About 3-[[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one

3-[[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one (PubChem CID 56703710) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 3-[[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one.

Molecular Properties

Compound Name3-[[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one
PubChem CID56703710
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name3-[[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one
SMILESO=c1cc(N2CCN(Cc3cc4cc5c(cc4[nH]c3=O)CCC5)CC2)cn[nH]1
InChIInChI=1S/C21H23N5O2/c27-20-11-18(12-22-24-20)26-6-4-25(5-7-26)13-17-9-16-8-14-2-1-3-15(14)10-19(16)23-21(17)28/h8-12H,1-7,13H2,(H,23,28)(H,24,27)
InChIKeyGOKSMXHIIITVEI-UHFFFAOYSA-N
XLogP1.42
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one?
The IUPAC name of 3-[[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one (CID 56703710) is 3-[[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one.
What is the SMILES notation for 3-[[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one?
The canonical SMILES for 3-[[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one is O=c1cc(N2CCN(Cc3cc4cc5c(cc4[nH]c3=O)CCC5)CC2)cn[nH]1.
What is the InChIKey of 3-[[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one?
The InChIKey is GOKSMXHIIITVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c27-20-11-18(12-22-24-20)26-6-4-25(5-7-26)13-17-9-16-8-14-2-1-3-15(14)10-19(16)23-21(17)28/h8-12H,1-7,13H2,(H,23,28)(H,24,27).
What are the key properties of 3-[[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one?
3-[[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one has a molecular weight of 377.45 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one is sourced from PubChem (CID 56703710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).