4-(3-methylindazol-1-yl)isoquinoline

C17H13N3 — CID 118496552

IUPAC4-(3-methylindazol-1-yl)isoquinoline
SMILESCc1nn(-c2cncc3ccccc23)c2ccccc12
InChIInChI=1S/C17H13N3/c1-12-14-7-4-5-9-16(14)20(19-12)17-11-18-10-13-6-2-3-8-15(13)17/h2-11H,1H3
InChIKeyRYQBODHIMWTNAG-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.88
Rot. Bonds1

About 4-(3-methylindazol-1-yl)isoquinoline

4-(3-methylindazol-1-yl)isoquinoline (PubChem CID 118496552) has the molecular formula C17H13N3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-(3-methylindazol-1-yl)isoquinoline.

Molecular Properties

Compound Name4-(3-methylindazol-1-yl)isoquinoline
PubChem CID118496552
Molecular FormulaC17H13N3
Molecular Weight259.31 g/mol
Exact Mass259.11
IUPAC Name4-(3-methylindazol-1-yl)isoquinoline
SMILESCc1nn(-c2cncc3ccccc23)c2ccccc12
InChIInChI=1S/C17H13N3/c1-12-14-7-4-5-9-16(14)20(19-12)17-11-18-10-13-6-2-3-8-15(13)17/h2-11H,1H3
InChIKeyRYQBODHIMWTNAG-UHFFFAOYSA-N
XLogP3.88
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-thiophen-2-ylindazol-1-yl)isoquinoline
CID 132609258
4-indol-1-ylisoquinoline
CID 68997324
methyl-(3-methylindazol-1-yl)tin
CID 141033519
3-methyl-1-[5-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]indazole
CID 144651992
1-(1,2-dihydropyridin-4-yl)-3-methylindazole
CID 167447499
2-chloro-4-(3-methylindazol-1-yl)pyrimidine-5-carbonitrile
CID 155324468
3-methyl-1-methylsulfanylindazole
CID 130412696
isoquinolin-4-yl(trimethyl)silane
CID 130535883
4-methyl-6-(3-methylindazol-1-yl)-N-pyridin-3-ylquinazolin-2-amine
CID 58329352
ethyl 4-amino-1-isoquinolin-4-ylpyrazole-3-carboxylate
CID 107346797
(2,5-dimethylphenyl)-(4-isoquinolin-4-ylpiperazin-1-yl)methanone
CID 166219485
5-[1-(ethylamino)ethenyl]-2-(3-methylindazol-1-yl)benzonitrile
CID 163814638

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylindazol-1-yl)isoquinoline?
The IUPAC name of 4-(3-methylindazol-1-yl)isoquinoline (CID 118496552) is 4-(3-methylindazol-1-yl)isoquinoline.
What is the SMILES notation for 4-(3-methylindazol-1-yl)isoquinoline?
The canonical SMILES for 4-(3-methylindazol-1-yl)isoquinoline is Cc1nn(-c2cncc3ccccc23)c2ccccc12.
What is the InChIKey of 4-(3-methylindazol-1-yl)isoquinoline?
The InChIKey is RYQBODHIMWTNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3/c1-12-14-7-4-5-9-16(14)20(19-12)17-11-18-10-13-6-2-3-8-15(13)17/h2-11H,1H3.
What are the key properties of 4-(3-methylindazol-1-yl)isoquinoline?
4-(3-methylindazol-1-yl)isoquinoline has a molecular weight of 259.31 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylindazol-1-yl)isoquinoline is sourced from PubChem (CID 118496552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).