6-methyl-7-propan-2-yloxyisoquinoline

C13H15NO — CID 169212807

IUPAC6-methyl-7-propan-2-yloxyisoquinoline
SMILESCc1cc2ccncc2cc1OC(C)C
InChIInChI=1S/C13H15NO/c1-9(2)15-13-7-12-8-14-5-4-11(12)6-10(13)3/h4-9H,1-3H3
InChIKeyAYJJXFLQYLNMQM-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.33
Rot. Bonds2

About 6-methyl-7-propan-2-yloxyisoquinoline

6-methyl-7-propan-2-yloxyisoquinoline (PubChem CID 169212807) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 6-methyl-7-propan-2-yloxyisoquinoline.

Molecular Properties

Compound Name6-methyl-7-propan-2-yloxyisoquinoline
PubChem CID169212807
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name6-methyl-7-propan-2-yloxyisoquinoline
SMILESCc1cc2ccncc2cc1OC(C)C
InChIInChI=1S/C13H15NO/c1-9(2)15-13-7-12-8-14-5-4-11(12)6-10(13)3/h4-9H,1-3H3
InChIKeyAYJJXFLQYLNMQM-UHFFFAOYSA-N
XLogP3.33
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-6-methylisoquinoline
CID 21300598
3-methoxy-4-propan-2-yloxypyridine
CID 167334924
CID 70365615
CID 70365615
4-ethyl-3-propan-2-yloxypyridine
CID 123491232
7-methoxyisoquinolin-6-ol;hydrochloride
CID 135539724
4-propan-2-yloxypyridine
CID 4527576
N-(3-methyl-4-propan-2-ylphenyl)isoquinolin-7-amine
CID 91217770
1,2-difluoro-4-methyl-5-propan-2-yloxybenzene
CID 130512828
3-propan-2-yl-2,6-naphthyridine;3-propan-2-yl-2,7-naphthyridine
CID 159240940
3-propan-2-yloxypyridine-4-carbonitrile
CID 91623739
9-methylbenzo[g]isoquinoline
CID 167164777
4-methoxy-7-methyl-6-propan-2-yloxyquinoline
CID 144937171

Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-propan-2-yloxyisoquinoline?
The IUPAC name of 6-methyl-7-propan-2-yloxyisoquinoline (CID 169212807) is 6-methyl-7-propan-2-yloxyisoquinoline.
What is the SMILES notation for 6-methyl-7-propan-2-yloxyisoquinoline?
The canonical SMILES for 6-methyl-7-propan-2-yloxyisoquinoline is Cc1cc2ccncc2cc1OC(C)C.
What is the InChIKey of 6-methyl-7-propan-2-yloxyisoquinoline?
The InChIKey is AYJJXFLQYLNMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-9(2)15-13-7-12-8-14-5-4-11(12)6-10(13)3/h4-9H,1-3H3.
What are the key properties of 6-methyl-7-propan-2-yloxyisoquinoline?
6-methyl-7-propan-2-yloxyisoquinoline has a molecular weight of 201.27 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-propan-2-yloxyisoquinoline is sourced from PubChem (CID 169212807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).