morpholin-4-yl-[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone

C23H25N5O2 — CID 15992231

IUPACmorpholin-4-yl-[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone
SMILESO=C(c1cnc(N2CCN(c3ccccn3)CC2)c2ccccc12)N1CCOCC1
InChIInChI=1S/C23H25N5O2/c29-23(28-13-15-30-16-14-28)20-17-25-22(19-6-2-1-5-18(19)20)27-11-9-26(10-12-27)21-7-3-4-8-24-21/h1-8,17H,9-16H2
InChIKeyVHZZPFSJFNFFCV-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.43
Rot. Bonds3

About morpholin-4-yl-[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone

morpholin-4-yl-[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone (PubChem CID 15992231) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is morpholin-4-yl-[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone
PubChem CID15992231
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Namemorpholin-4-yl-[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone
SMILESO=C(c1cnc(N2CCN(c3ccccn3)CC2)c2ccccc12)N1CCOCC1
InChIInChI=1S/C23H25N5O2/c29-23(28-13-15-30-16-14-28)20-17-25-22(19-6-2-1-5-18(19)20)27-11-9-26(10-12-27)21-7-3-4-8-24-21/h1-8,17H,9-16H2
InChIKeyVHZZPFSJFNFFCV-UHFFFAOYSA-N
XLogP2.43
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

morpholin-4-yl-(1-morpholin-4-ylisoquinolin-4-yl)methanone
CID 46360302
(4-phenylpiperazin-1-yl)-[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone
CID 122174293
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone
CID 126476890
morpholin-4-yl-[5-(4-pyridin-2-ylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109276440
[1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 122174435
[2-(morpholine-4-carbonyl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109133323
(5-morpholin-4-ylpyrazin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109276621
1-(1,4-oxazepan-4-yl)isoquinoline-4-carboxylic acid
CID 106766993
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone
CID 122174457
[1-(methylamino)isoquinolin-4-yl]-morpholin-4-ylmethanone
CID 106770053
(4-methylpiperazin-1-yl)-(1-pyrrolidin-1-ylisoquinolin-4-yl)methanone
CID 46360427
[2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365554

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone?
The IUPAC name of morpholin-4-yl-[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone (CID 15992231) is morpholin-4-yl-[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone?
The canonical SMILES for morpholin-4-yl-[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone is O=C(c1cnc(N2CCN(c3ccccn3)CC2)c2ccccc12)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone?
The InChIKey is VHZZPFSJFNFFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c29-23(28-13-15-30-16-14-28)20-17-25-22(19-6-2-1-5-18(19)20)27-11-9-26(10-12-27)21-7-3-4-8-24-21/h1-8,17H,9-16H2.
What are the key properties of morpholin-4-yl-[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone?
morpholin-4-yl-[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone has a molecular weight of 403.49 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone is sourced from PubChem (CID 15992231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).