8-(4-ethylpiperazin-1-yl)-5-methoxyisoquinoline

C16H21N3O — CID 69447418

IUPAC8-(4-ethylpiperazin-1-yl)-5-methoxyisoquinoline
SMILESCCN1CCN(c2ccc(OC)c3ccncc23)CC1
InChIInChI=1S/C16H21N3O/c1-3-18-8-10-19(11-9-18)15-4-5-16(20-2)13-6-7-17-12-14(13)15/h4-7,12H,3,8-11H2,1-2H3
InChIKeyRVJXUJHQAYVVER-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.39
Rot. Bonds3

About 8-(4-ethylpiperazin-1-yl)-5-methoxyisoquinoline

8-(4-ethylpiperazin-1-yl)-5-methoxyisoquinoline (PubChem CID 69447418) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 8-(4-ethylpiperazin-1-yl)-5-methoxyisoquinoline.

Molecular Properties

Compound Name8-(4-ethylpiperazin-1-yl)-5-methoxyisoquinoline
PubChem CID69447418
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name8-(4-ethylpiperazin-1-yl)-5-methoxyisoquinoline
SMILESCCN1CCN(c2ccc(OC)c3ccncc23)CC1
InChIInChI=1S/C16H21N3O/c1-3-18-8-10-19(11-9-18)15-4-5-16(20-2)13-6-7-17-12-14(13)15/h4-7,12H,3,8-11H2,1-2H3
InChIKeyRVJXUJHQAYVVER-UHFFFAOYSA-N
XLogP2.39
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(5-aminoisoquinolin-8-yl)piperazin-1-yl]ethanol
CID 103137236
1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)-2,6-naphthyridine
CID 22502740
N-[[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81248359
1-(6-bromo-5-methoxy-2-pyridinyl)-4-ethylpiperazine
CID 88570050
4-methoxy-3-piperidin-1-ylpyridine
CID 152705375
1-ethyl-4-(5-methoxy-3-pyridinyl)piperazine
CID 22053538
2-ethyl-4-[4-(4-methoxy-3-pyridinyl)piperazine-1-carbonyl]pyrido[3,4-d]pyridazin-1-one
CID 171630560
N-[[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 81249841
6-(4-ethylpiperazin-1-yl)quinolin-5-amine
CID 43809494
O-[3-[(4-ethylpiperazin-1-yl)methyl]-4-pyridinyl]hydroxylamine
CID 143961834
1-ethyl-4-pyridin-4-yl-1,4-diazepane
CID 121451794
[4-(2-methoxyphenyl)piperazin-1-yl]-(2,7-naphthyridin-1-yl)methanone
CID 167947502

Frequently Asked Questions

What is the IUPAC name of 8-(4-ethylpiperazin-1-yl)-5-methoxyisoquinoline?
The IUPAC name of 8-(4-ethylpiperazin-1-yl)-5-methoxyisoquinoline (CID 69447418) is 8-(4-ethylpiperazin-1-yl)-5-methoxyisoquinoline.
What is the SMILES notation for 8-(4-ethylpiperazin-1-yl)-5-methoxyisoquinoline?
The canonical SMILES for 8-(4-ethylpiperazin-1-yl)-5-methoxyisoquinoline is CCN1CCN(c2ccc(OC)c3ccncc23)CC1.
What is the InChIKey of 8-(4-ethylpiperazin-1-yl)-5-methoxyisoquinoline?
The InChIKey is RVJXUJHQAYVVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-18-8-10-19(11-9-18)15-4-5-16(20-2)13-6-7-17-12-14(13)15/h4-7,12H,3,8-11H2,1-2H3.
What are the key properties of 8-(4-ethylpiperazin-1-yl)-5-methoxyisoquinoline?
8-(4-ethylpiperazin-1-yl)-5-methoxyisoquinoline has a molecular weight of 271.36 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-ethylpiperazin-1-yl)-5-methoxyisoquinoline is sourced from PubChem (CID 69447418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).