[1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinolin-7-yl]-morpholin-4-ylmethanone

C25H28N4O3 — CID 53010018

IUPAC[1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinolin-7-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(N2CCN(c3nccc4ccc(C(=O)N5CCOCC5)cc34)CC2)cc1
InChIInChI=1S/C25H28N4O3/c1-31-22-6-4-21(5-7-22)27-10-12-28(13-11-27)24-23-18-20(3-2-19(23)8-9-26-24)25(30)29-14-16-32-17-15-29/h2-9,18H,10-17H2,1H3
InChIKeyLWQWLKZAXHTPRE-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.04
Rot. Bonds4

About [1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinolin-7-yl]-morpholin-4-ylmethanone

[1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinolin-7-yl]-morpholin-4-ylmethanone (PubChem CID 53010018) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is [1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinolin-7-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinolin-7-yl]-morpholin-4-ylmethanone
PubChem CID53010018
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name[1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinolin-7-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(N2CCN(c3nccc4ccc(C(=O)N5CCOCC5)cc34)CC2)cc1
InChIInChI=1S/C25H28N4O3/c1-31-22-6-4-21(5-7-22)27-10-12-28(13-11-27)24-23-18-20(3-2-19(23)8-9-26-24)25(30)29-14-16-32-17-15-29/h2-9,18H,10-17H2,1H3
InChIKeyLWQWLKZAXHTPRE-UHFFFAOYSA-N
XLogP3.04
TPSA58.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

azepan-1-yl-[1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinolin-7-yl]methanone
CID 53102246
[1-(4-phenylpiperazin-1-yl)isoquinolin-7-yl]-piperidin-1-ylmethanone
CID 53010054
[1-[4-(4-chlorophenyl)piperazin-1-yl]isoquinolin-7-yl]-(4-propylpiperazin-1-yl)methanone
CID 53102305
N-(3,4-dimethoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinoline-7-carboxamide
CID 53010007
[4-(4-methoxyphenyl)piperazin-1-yl]-(2-morpholin-4-yl-3-pyridinyl)methanone
CID 51210361
N-(3-fluoro-4-methylphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinoline-7-carboxamide
CID 53102270
1,3-benzoxazol-5-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 110388164
[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184633
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092
[4-(4-methoxyphenyl)piperazin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone
CID 109165116
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
[4-(4-methoxyphenyl)piperazin-1-yl]-[3-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone
CID 50847863

Frequently Asked Questions

What is the IUPAC name of [1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinolin-7-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinolin-7-yl]-morpholin-4-ylmethanone (CID 53010018) is [1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinolin-7-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinolin-7-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinolin-7-yl]-morpholin-4-ylmethanone is COc1ccc(N2CCN(c3nccc4ccc(C(=O)N5CCOCC5)cc34)CC2)cc1.
What is the InChIKey of [1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinolin-7-yl]-morpholin-4-ylmethanone?
The InChIKey is LWQWLKZAXHTPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-31-22-6-4-21(5-7-22)27-10-12-28(13-11-27)24-23-18-20(3-2-19(23)8-9-26-24)25(30)29-14-16-32-17-15-29/h2-9,18H,10-17H2,1H3.
What are the key properties of [1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinolin-7-yl]-morpholin-4-ylmethanone?
[1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinolin-7-yl]-morpholin-4-ylmethanone has a molecular weight of 432.52 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinolin-7-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 53010018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).