N-isoquinolin-7-yl-2-[3-(4-methylcyclohexen-1-yl)-6-oxopyridazin-1-yl]acetamide

C22H22N4O2 — CID 146318014

IUPACN-isoquinolin-7-yl-2-[3-(4-methylcyclohexen-1-yl)-6-oxopyridazin-1-yl]acetamide
SMILESCC1CC=C(c2ccc(=O)n(CC(=O)Nc3ccc4ccncc4c3)n2)CC1
InChIInChI=1S/C22H22N4O2/c1-15-2-4-17(5-3-15)20-8-9-22(28)26(25-20)14-21(27)24-19-7-6-16-10-11-23-13-18(16)12-19/h4,6-13,15H,2-3,5,14H2,1H3,(H,24,27)
InChIKeyHYQCMGJAQPXTGU-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.63
Rot. Bonds4

About N-isoquinolin-7-yl-2-[3-(4-methylcyclohexen-1-yl)-6-oxopyridazin-1-yl]acetamide

N-isoquinolin-7-yl-2-[3-(4-methylcyclohexen-1-yl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 146318014) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-isoquinolin-7-yl-2-[3-(4-methylcyclohexen-1-yl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-isoquinolin-7-yl-2-[3-(4-methylcyclohexen-1-yl)-6-oxopyridazin-1-yl]acetamide
PubChem CID146318014
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-isoquinolin-7-yl-2-[3-(4-methylcyclohexen-1-yl)-6-oxopyridazin-1-yl]acetamide
SMILESCC1CC=C(c2ccc(=O)n(CC(=O)Nc3ccc4ccncc4c3)n2)CC1
InChIInChI=1S/C22H22N4O2/c1-15-2-4-17(5-3-15)20-8-9-22(28)26(25-20)14-21(27)24-19-7-6-16-10-11-23-13-18(16)12-19/h4,6-13,15H,2-3,5,14H2,1H3,(H,24,27)
InChIKeyHYQCMGJAQPXTGU-UHFFFAOYSA-N
XLogP3.63
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-7-yl-2-[3-(4-methylcyclohexen-1-yl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-isoquinolin-7-yl-2-[3-(4-methylcyclohexen-1-yl)-6-oxopyridazin-1-yl]acetamide (CID 146318014) is N-isoquinolin-7-yl-2-[3-(4-methylcyclohexen-1-yl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-isoquinolin-7-yl-2-[3-(4-methylcyclohexen-1-yl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-isoquinolin-7-yl-2-[3-(4-methylcyclohexen-1-yl)-6-oxopyridazin-1-yl]acetamide is CC1CC=C(c2ccc(=O)n(CC(=O)Nc3ccc4ccncc4c3)n2)CC1.
What is the InChIKey of N-isoquinolin-7-yl-2-[3-(4-methylcyclohexen-1-yl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is HYQCMGJAQPXTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-15-2-4-17(5-3-15)20-8-9-22(28)26(25-20)14-21(27)24-19-7-6-16-10-11-23-13-18(16)12-19/h4,6-13,15H,2-3,5,14H2,1H3,(H,24,27).
What are the key properties of N-isoquinolin-7-yl-2-[3-(4-methylcyclohexen-1-yl)-6-oxopyridazin-1-yl]acetamide?
N-isoquinolin-7-yl-2-[3-(4-methylcyclohexen-1-yl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 374.44 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-7-yl-2-[3-(4-methylcyclohexen-1-yl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 146318014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).