1-[3-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]propan-1-ol

C24H29N3O — CID 18325819

IUPAC1-[3-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]propan-1-ol
SMILESCCC(O)c1cccc(-c2cc3ccccc3c(N3CCN(CC)CC3)n2)c1
InChIInChI=1S/C24H29N3O/c1-3-23(28)20-10-7-9-19(16-20)22-17-18-8-5-6-11-21(18)24(25-22)27-14-12-26(4-2)13-15-27/h5-11,16-17,23,28H,3-4,12-15H2,1-2H3
InChIKeyUFSLSWUSZPXJNZ-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.49
Rot. Bonds5

About 1-[3-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]propan-1-ol

1-[3-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]propan-1-ol (PubChem CID 18325819) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 1-[3-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[3-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]propan-1-ol
PubChem CID18325819
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name1-[3-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]propan-1-ol
SMILESCCC(O)c1cccc(-c2cc3ccccc3c(N3CCN(CC)CC3)n2)c1
InChIInChI=1S/C24H29N3O/c1-3-23(28)20-10-7-9-19(16-20)22-17-18-8-5-6-11-21(18)24(25-22)27-14-12-26(4-2)13-15-27/h5-11,16-17,23,28H,3-4,12-15H2,1-2H3
InChIKeyUFSLSWUSZPXJNZ-UHFFFAOYSA-N
XLogP4.49
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]propan-1-ol?
The IUPAC name of 1-[3-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]propan-1-ol (CID 18325819) is 1-[3-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]propan-1-ol.
What is the SMILES notation for 1-[3-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]propan-1-ol?
The canonical SMILES for 1-[3-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]propan-1-ol is CCC(O)c1cccc(-c2cc3ccccc3c(N3CCN(CC)CC3)n2)c1.
What is the InChIKey of 1-[3-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]propan-1-ol?
The InChIKey is UFSLSWUSZPXJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-3-23(28)20-10-7-9-19(16-20)22-17-18-8-5-6-11-21(18)24(25-22)27-14-12-26(4-2)13-15-27/h5-11,16-17,23,28H,3-4,12-15H2,1-2H3.
What are the key properties of 1-[3-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]propan-1-ol?
1-[3-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]propan-1-ol has a molecular weight of 375.52 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]propan-1-ol is sourced from PubChem (CID 18325819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).