1-[4-(morpholin-4-ylmethyl)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone

C26H30N4O2 — CID 147432485

IUPAC1-[4-(morpholin-4-ylmethyl)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone
SMILESO=C(Cc1cc2cc(-c3cccnn3)ccc2cn1)C1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C26H30N4O2/c31-26(20-5-3-19(4-6-20)18-30-10-12-32-13-11-30)16-24-15-23-14-21(7-8-22(23)17-27-24)25-2-1-9-28-29-25/h1-2,7-9,14-15,17,19-20H,3-6,10-13,16,18H2
InChIKeyDUPTYCJLHSHGHK-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.94
Rot. Bonds6

About 1-[4-(morpholin-4-ylmethyl)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone

1-[4-(morpholin-4-ylmethyl)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone (PubChem CID 147432485) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 1-[4-(morpholin-4-ylmethyl)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-(morpholin-4-ylmethyl)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone
PubChem CID147432485
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name1-[4-(morpholin-4-ylmethyl)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone
SMILESO=C(Cc1cc2cc(-c3cccnn3)ccc2cn1)C1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C26H30N4O2/c31-26(20-5-3-19(4-6-20)18-30-10-12-32-13-11-30)16-24-15-23-14-21(7-8-22(23)17-27-24)25-2-1-9-28-29-25/h1-2,7-9,14-15,17,19-20H,3-6,10-13,16,18H2
InChIKeyDUPTYCJLHSHGHK-UHFFFAOYSA-N
XLogP3.94
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(morpholin-4-ylmethyl)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone with MolForge

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Related Compounds

4-(morpholin-4-ylmethyl)-N-(6-pyridazin-3-ylisoquinolin-3-yl)cyclohexane-1-carboxamide
CID 138606041
1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone
CID 147027857
1-[4-(2-fluoropropylamino)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone
CID 158089428
2-morpholin-4-yl-N-(6-pyridazin-3-ylisoquinolin-3-yl)acetamide
CID 138586345
N-[[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]methyl]-6-pyridazin-3-ylisoquinolin-3-amine
CID 142575426
1-cyclopropyl-2-[6-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]ethanone
CID 158014450
2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(oxetan-2-ylmethyl)piperidin-4-yl]ethanone
CID 160974379
4-[2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]acetyl]cyclohexane-1-carbaldehyde
CID 159019743
1-(4-morpholin-4-ylpiperidin-1-yl)-2-(6-pyrazin-2-ylisoquinolin-3-yl)ethanone
CID 158885542
1-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]-2-[6-(1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]ethanone
CID 160782355
1-[1-(hydroxymethyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 159155935
2-morpholin-4-yl-N-(3-pyridazin-3-yl-1,7-naphthyridin-6-yl)acetamide
CID 138588047

Frequently Asked Questions

What is the IUPAC name of 1-[4-(morpholin-4-ylmethyl)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone?
The IUPAC name of 1-[4-(morpholin-4-ylmethyl)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone (CID 147432485) is 1-[4-(morpholin-4-ylmethyl)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone.
What is the SMILES notation for 1-[4-(morpholin-4-ylmethyl)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone?
The canonical SMILES for 1-[4-(morpholin-4-ylmethyl)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone is O=C(Cc1cc2cc(-c3cccnn3)ccc2cn1)C1CCC(CN2CCOCC2)CC1.
What is the InChIKey of 1-[4-(morpholin-4-ylmethyl)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone?
The InChIKey is DUPTYCJLHSHGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c31-26(20-5-3-19(4-6-20)18-30-10-12-32-13-11-30)16-24-15-23-14-21(7-8-22(23)17-27-24)25-2-1-9-28-29-25/h1-2,7-9,14-15,17,19-20H,3-6,10-13,16,18H2.
What are the key properties of 1-[4-(morpholin-4-ylmethyl)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone?
1-[4-(morpholin-4-ylmethyl)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone has a molecular weight of 430.55 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(morpholin-4-ylmethyl)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone is sourced from PubChem (CID 147432485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).