6,7-dimethoxy-N-(1-methylpyrazol-3-yl)isoquinolin-1-amine

C15H16N4O2 — CID 106539080

IUPAC6,7-dimethoxy-N-(1-methylpyrazol-3-yl)isoquinolin-1-amine
SMILESCOc1cc2ccnc(Nc3ccn(C)n3)c2cc1OC
InChIInChI=1S/C15H16N4O2/c1-19-7-5-14(18-19)17-15-11-9-13(21-3)12(20-2)8-10(11)4-6-16-15/h4-9H,1-3H3,(H,16,17,18)
InChIKeyMVXNKKIYWZVHKK-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.73
Rot. Bonds4

About 6,7-dimethoxy-N-(1-methylpyrazol-3-yl)isoquinolin-1-amine

6,7-dimethoxy-N-(1-methylpyrazol-3-yl)isoquinolin-1-amine (PubChem CID 106539080) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 6,7-dimethoxy-N-(1-methylpyrazol-3-yl)isoquinolin-1-amine.

Molecular Properties

Compound Name6,7-dimethoxy-N-(1-methylpyrazol-3-yl)isoquinolin-1-amine
PubChem CID106539080
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name6,7-dimethoxy-N-(1-methylpyrazol-3-yl)isoquinolin-1-amine
SMILESCOc1cc2ccnc(Nc3ccn(C)n3)c2cc1OC
InChIInChI=1S/C15H16N4O2/c1-19-7-5-14(18-19)17-15-11-9-13(21-3)12(20-2)8-10(11)4-6-16-15/h4-9H,1-3H3,(H,16,17,18)
InChIKeyMVXNKKIYWZVHKK-UHFFFAOYSA-N
XLogP2.73
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinolin-1-amine
CID 156575619
(6,7-dimethoxyisoquinolin-1-yl)hydrazine
CID 103840464
N-(2,2-dimethylpropyl)-6,7-dimethoxyisoquinolin-1-amine
CID 106537879
6,7-dimethoxy-1-methylisoquinoline
CID 20725
3-[(6,7-dimethoxyisoquinolin-1-yl)amino]-3-methylbutan-2-ol
CID 106539852
1-N-(6,7-dimethoxyisoquinolin-1-yl)propane-1,2-diamine
CID 106540624
4-chloro-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine
CID 146569746
1-N-(6,7-dimethoxyisoquinolin-1-yl)pentane-1,2-diamine
CID 106543554
N-(2-chlorobutyl)-6,7-dimethoxyisoquinolin-1-amine
CID 106543113
2-[(6,7-dimethoxyisoquinolin-1-yl)amino]-3-methylbutan-1-ol
CID 106539049
3-[(6,7-dimethoxyisoquinolin-1-yl)amino]-2-methylbutan-1-ol
CID 106539656
1-[(6,7-dimethoxyisoquinolin-1-yl)amino]butan-2-ol
CID 106539720

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-(1-methylpyrazol-3-yl)isoquinolin-1-amine?
The IUPAC name of 6,7-dimethoxy-N-(1-methylpyrazol-3-yl)isoquinolin-1-amine (CID 106539080) is 6,7-dimethoxy-N-(1-methylpyrazol-3-yl)isoquinolin-1-amine.
What is the SMILES notation for 6,7-dimethoxy-N-(1-methylpyrazol-3-yl)isoquinolin-1-amine?
The canonical SMILES for 6,7-dimethoxy-N-(1-methylpyrazol-3-yl)isoquinolin-1-amine is COc1cc2ccnc(Nc3ccn(C)n3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-N-(1-methylpyrazol-3-yl)isoquinolin-1-amine?
The InChIKey is MVXNKKIYWZVHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-19-7-5-14(18-19)17-15-11-9-13(21-3)12(20-2)8-10(11)4-6-16-15/h4-9H,1-3H3,(H,16,17,18).
What are the key properties of 6,7-dimethoxy-N-(1-methylpyrazol-3-yl)isoquinolin-1-amine?
6,7-dimethoxy-N-(1-methylpyrazol-3-yl)isoquinolin-1-amine has a molecular weight of 284.32 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-(1-methylpyrazol-3-yl)isoquinolin-1-amine is sourced from PubChem (CID 106539080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).