4-N-(7-methoxyisoquinolin-1-yl)pentane-1,4-diamine

C15H21N3O — CID 106543464

IUPAC4-N-(7-methoxyisoquinolin-1-yl)pentane-1,4-diamine
SMILESCOc1ccc2ccnc(NC(C)CCCN)c2c1
InChIInChI=1S/C15H21N3O/c1-11(4-3-8-16)18-15-14-10-13(19-2)6-5-12(14)7-9-17-15/h5-7,9-11H,3-4,8,16H2,1-2H3,(H,17,18)
InChIKeyQIDDOEAUQWRHKG-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.78
Rot. Bonds6

About 4-N-(7-methoxyisoquinolin-1-yl)pentane-1,4-diamine

4-N-(7-methoxyisoquinolin-1-yl)pentane-1,4-diamine (PubChem CID 106543464) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-N-(7-methoxyisoquinolin-1-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(7-methoxyisoquinolin-1-yl)pentane-1,4-diamine
PubChem CID106543464
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-N-(7-methoxyisoquinolin-1-yl)pentane-1,4-diamine
SMILESCOc1ccc2ccnc(NC(C)CCCN)c2c1
InChIInChI=1S/C15H21N3O/c1-11(4-3-8-16)18-15-14-10-13(19-2)6-5-12(14)7-9-17-15/h5-7,9-11H,3-4,8,16H2,1-2H3,(H,17,18)
InChIKeyQIDDOEAUQWRHKG-UHFFFAOYSA-N
XLogP2.78
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloropentan-2-yl)-7-methoxyisoquinolin-1-amine
CID 106542820
7-methoxy-N-(3-methylbutan-2-yl)isoquinolin-1-amine
CID 106537442
2-N-(7-methoxyisoquinolin-1-yl)-4-methylpentane-1,2-diamine
CID 106540646
1-N-(7-methoxyisoquinolin-1-yl)pentane-1,4-diamine
CID 106127613
N-(4-chlorobutan-2-yl)-6-methoxyisoquinolin-1-amine
CID 106543022
4-N-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)pentane-1,4-diamine
CID 106543461
N-(1-cyclopropylethyl)-7-methoxyisoquinolin-1-amine
CID 106537555
7-methoxy-N-(1-thiophen-3-ylpropan-2-yl)isoquinolin-1-amine
CID 106538064
N-butan-2-yl-6-methoxyisoquinolin-1-amine
CID 106537166
4-N-(4-ethyl-6-methoxyquinolin-8-yl)pentane-1,4-diamine
CID 12529741
6-methoxy-N-(4-methylpentan-2-yl)isoquinolin-1-amine
CID 106537504
2-N-(6-methoxyisoquinolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 106539278

Frequently Asked Questions

What is the IUPAC name of 4-N-(7-methoxyisoquinolin-1-yl)pentane-1,4-diamine?
The IUPAC name of 4-N-(7-methoxyisoquinolin-1-yl)pentane-1,4-diamine (CID 106543464) is 4-N-(7-methoxyisoquinolin-1-yl)pentane-1,4-diamine.
What is the SMILES notation for 4-N-(7-methoxyisoquinolin-1-yl)pentane-1,4-diamine?
The canonical SMILES for 4-N-(7-methoxyisoquinolin-1-yl)pentane-1,4-diamine is COc1ccc2ccnc(NC(C)CCCN)c2c1.
What is the InChIKey of 4-N-(7-methoxyisoquinolin-1-yl)pentane-1,4-diamine?
The InChIKey is QIDDOEAUQWRHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(4-3-8-16)18-15-14-10-13(19-2)6-5-12(14)7-9-17-15/h5-7,9-11H,3-4,8,16H2,1-2H3,(H,17,18).
What are the key properties of 4-N-(7-methoxyisoquinolin-1-yl)pentane-1,4-diamine?
4-N-(7-methoxyisoquinolin-1-yl)pentane-1,4-diamine has a molecular weight of 259.35 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(7-methoxyisoquinolin-1-yl)pentane-1,4-diamine is sourced from PubChem (CID 106543464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).