[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl] N-ethylcarbamate

C24H28N4O2 — CID 20720257

IUPAC[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl] N-ethylcarbamate
SMILESCCNC(=O)Oc1ccc(-c2cc3ccccc3c(N3CCN(CC)CC3)n2)cc1
InChIInChI=1S/C24H28N4O2/c1-3-25-24(29)30-20-11-9-18(10-12-20)22-17-19-7-5-6-8-21(19)23(26-22)28-15-13-27(4-2)14-16-28/h5-12,17H,3-4,13-16H2,1-2H3,(H,25,29)
InChIKeyMNWGGQIYLJJNGY-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.15
Rot. Bonds5

About [4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl] N-ethylcarbamate

[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl] N-ethylcarbamate (PubChem CID 20720257) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is [4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl] N-ethylcarbamate.

Molecular Properties

Compound Name[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl] N-ethylcarbamate
PubChem CID20720257
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl] N-ethylcarbamate
SMILESCCNC(=O)Oc1ccc(-c2cc3ccccc3c(N3CCN(CC)CC3)n2)cc1
InChIInChI=1S/C24H28N4O2/c1-3-25-24(29)30-20-11-9-18(10-12-20)22-17-19-7-5-6-8-21(19)23(26-22)28-15-13-27(4-2)14-16-28/h5-12,17H,3-4,13-16H2,1-2H3,(H,25,29)
InChIKeyMNWGGQIYLJJNGY-UHFFFAOYSA-N
XLogP4.15
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl] N-ethylcarbamate with MolForge

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Related Compounds

N-[[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]methyl]butanamide;hydrochloride
CID 22503347
1-(4-ethyl-1,4-diazepan-1-yl)-3-(4-methoxyphenyl)isoquinoline;dihydrochloride
CID 22502737
N-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]butanamide
CID 22503016
2-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenoxy]acetonitrile
CID 22502988
2-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenoxy]cyclohexan-1-ol
CID 22503435
N-[5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-2-pyridinyl]butanamide
CID 22503376
1-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]piperidin-4-ol;trihydrochloride
CID 22502772
N-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]propane-1-sulfonamide;hydrochloride
CID 22503641
4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-N-propylbenzenesulfonamide
CID 22503012
1-(4-ethylpiperazin-1-yl)-6-methoxy-3-(4-methoxyphenyl)isoquinoline
CID 22503083
3-(3,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline;dihydrochloride
CID 22502852
1-(4-ethylpiperazin-1-yl)-7-methoxy-3-phenylisoquinoline;dihydrochloride
CID 22503110

Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl] N-ethylcarbamate?
The IUPAC name of [4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl] N-ethylcarbamate (CID 20720257) is [4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl] N-ethylcarbamate.
What is the SMILES notation for [4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl] N-ethylcarbamate?
The canonical SMILES for [4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl] N-ethylcarbamate is CCNC(=O)Oc1ccc(-c2cc3ccccc3c(N3CCN(CC)CC3)n2)cc1.
What is the InChIKey of [4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl] N-ethylcarbamate?
The InChIKey is MNWGGQIYLJJNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-3-25-24(29)30-20-11-9-18(10-12-20)22-17-19-7-5-6-8-21(19)23(26-22)28-15-13-27(4-2)14-16-28/h5-12,17H,3-4,13-16H2,1-2H3,(H,25,29).
What are the key properties of [4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl] N-ethylcarbamate?
[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl] N-ethylcarbamate has a molecular weight of 404.51 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl] N-ethylcarbamate is sourced from PubChem (CID 20720257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).