1-[2-[(7-methoxyisoquinolin-1-yl)amino]ethylamino]propan-2-ol

C15H21N3O2 — CID 106541080

IUPAC1-[2-[(7-methoxyisoquinolin-1-yl)amino]ethylamino]propan-2-ol
SMILESCOc1ccc2ccnc(NCCNCC(C)O)c2c1
InChIInChI=1S/C15H21N3O2/c1-11(19)10-16-7-8-18-15-14-9-13(20-2)4-3-12(14)5-6-17-15/h3-6,9,11,16,19H,7-8,10H2,1-2H3,(H,17,18)
InChIKeyBIKBIAZGUUTNFJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.63
Rot. Bonds7

About 1-[2-[(7-methoxyisoquinolin-1-yl)amino]ethylamino]propan-2-ol

1-[2-[(7-methoxyisoquinolin-1-yl)amino]ethylamino]propan-2-ol (PubChem CID 106541080) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[2-[(7-methoxyisoquinolin-1-yl)amino]ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-[2-[(7-methoxyisoquinolin-1-yl)amino]ethylamino]propan-2-ol
PubChem CID106541080
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-[2-[(7-methoxyisoquinolin-1-yl)amino]ethylamino]propan-2-ol
SMILESCOc1ccc2ccnc(NCCNCC(C)O)c2c1
InChIInChI=1S/C15H21N3O2/c1-11(19)10-16-7-8-18-15-14-9-13(20-2)4-3-12(14)5-6-17-15/h3-6,9,11,16,19H,7-8,10H2,1-2H3,(H,17,18)
InChIKeyBIKBIAZGUUTNFJ-UHFFFAOYSA-N
XLogP1.63
TPSA66.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-[(7-methoxyisoquinolin-1-yl)amino]ethylamino]propan-2-ol with MolForge

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Related Compounds

N-(2-methoxyethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine
CID 106541048
1-N-(7-methoxyisoquinolin-1-yl)pentane-1,4-diamine
CID 106127613
N-(2,3-dimethylbutyl)-7-methoxyisoquinolin-1-amine
CID 106538802
N-(7-methoxyisoquinolin-1-yl)-N',N'-dimethylpropane-1,3-diamine
CID 106537368
3-ethyl-1-[(7-methoxyisoquinolin-1-yl)amino]pentan-2-ol
CID 106287689
1-[2-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)ethylamino]propan-2-ol
CID 106541078
N-(3-chloro-2-methylpropyl)-7-methoxyisoquinolin-1-amine
CID 106542770
7-methoxy-N-(2-methylsulfinylpropyl)isoquinolin-1-amine
CID 106539651
2-[[(7-methoxyisoquinolin-1-yl)amino]methyl]-3-methylbutanoic acid
CID 106536242
7-methoxy-N-(3-methylbutan-2-yl)isoquinolin-1-amine
CID 106537442
methyl 2-[(7-methoxyisoquinolin-1-yl)amino]acetate
CID 106537314
7-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-1-amine
CID 106537423

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(7-methoxyisoquinolin-1-yl)amino]ethylamino]propan-2-ol?
The IUPAC name of 1-[2-[(7-methoxyisoquinolin-1-yl)amino]ethylamino]propan-2-ol (CID 106541080) is 1-[2-[(7-methoxyisoquinolin-1-yl)amino]ethylamino]propan-2-ol.
What is the SMILES notation for 1-[2-[(7-methoxyisoquinolin-1-yl)amino]ethylamino]propan-2-ol?
The canonical SMILES for 1-[2-[(7-methoxyisoquinolin-1-yl)amino]ethylamino]propan-2-ol is COc1ccc2ccnc(NCCNCC(C)O)c2c1.
What is the InChIKey of 1-[2-[(7-methoxyisoquinolin-1-yl)amino]ethylamino]propan-2-ol?
The InChIKey is BIKBIAZGUUTNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11(19)10-16-7-8-18-15-14-9-13(20-2)4-3-12(14)5-6-17-15/h3-6,9,11,16,19H,7-8,10H2,1-2H3,(H,17,18).
What are the key properties of 1-[2-[(7-methoxyisoquinolin-1-yl)amino]ethylamino]propan-2-ol?
1-[2-[(7-methoxyisoquinolin-1-yl)amino]ethylamino]propan-2-ol has a molecular weight of 275.35 g/mol, XLogP of 1.63, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(7-methoxyisoquinolin-1-yl)amino]ethylamino]propan-2-ol is sourced from PubChem (CID 106541080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).