1-[2-(2-methoxyphenyl)-1-methylimidazol-4-yl]isoquinoline

C20H17N3O — CID 171732543

IUPAC1-[2-(2-methoxyphenyl)-1-methylimidazol-4-yl]isoquinoline
SMILESCOc1ccccc1-c1nc(-c2nccc3ccccc23)cn1C
InChIInChI=1S/C20H17N3O/c1-23-13-17(19-15-8-4-3-7-14(15)11-12-21-19)22-20(23)16-9-5-6-10-18(16)24-2/h3-13H,1-2H3
InChIKeyINFXVZOJFYLZBI-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.31
Rot. Bonds3

About 1-[2-(2-methoxyphenyl)-1-methylimidazol-4-yl]isoquinoline

1-[2-(2-methoxyphenyl)-1-methylimidazol-4-yl]isoquinoline (PubChem CID 171732543) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)-1-methylimidazol-4-yl]isoquinoline.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)-1-methylimidazol-4-yl]isoquinoline
PubChem CID171732543
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name1-[2-(2-methoxyphenyl)-1-methylimidazol-4-yl]isoquinoline
SMILESCOc1ccccc1-c1nc(-c2nccc3ccccc23)cn1C
InChIInChI=1S/C20H17N3O/c1-23-13-17(19-15-8-4-3-7-14(15)11-12-21-19)22-20(23)16-9-5-6-10-18(16)24-2/h3-13H,1-2H3
InChIKeyINFXVZOJFYLZBI-UHFFFAOYSA-N
XLogP4.31
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylimidazol-2-yl)isoquinoline
CID 69469686
tributyl-[2-(2-methoxyphenyl)-1-methylimidazol-4-yl]stannane
CID 118703700
5-(2,5-dimethoxyphenyl)-3-isoquinolin-1-yl-1,2,4-oxadiazole
CID 11232865
1-(1-methylpyrrol-2-yl)isoquinoline
CID 11769704
1-[2-(2-methoxyphenyl)phenyl]naphthalene
CID 175027379
1-(2-methoxy-5,6,7,8-tetraphenylnaphthalen-1-yl)isoquinoline
CID 122217303
2-(2-methoxyphenyl)-3-methylpyridine-4-carbaldehyde
CID 83918138
2-[1-methyl-4-(3-phenylisoquinolin-1-yl)imidazol-2-yl]phenol;platinum
CID 171732517
2-[2-(2-ethoxyphenyl)-1-methylimidazol-4-yl]ethanamine
CID 95457075
6-(2-ethoxyphenyl)-3,8-dimethylpteridine-2,4-dione
CID 8990439
1-isoquinolin-1-yl-3-(4-methoxyphenyl)isoquinoline
CID 175029706
3-anilino-2-(2-methoxyphenyl)quinazolin-4-one
CID 134956314

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)-1-methylimidazol-4-yl]isoquinoline?
The IUPAC name of 1-[2-(2-methoxyphenyl)-1-methylimidazol-4-yl]isoquinoline (CID 171732543) is 1-[2-(2-methoxyphenyl)-1-methylimidazol-4-yl]isoquinoline.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)-1-methylimidazol-4-yl]isoquinoline?
The canonical SMILES for 1-[2-(2-methoxyphenyl)-1-methylimidazol-4-yl]isoquinoline is COc1ccccc1-c1nc(-c2nccc3ccccc23)cn1C.
What is the InChIKey of 1-[2-(2-methoxyphenyl)-1-methylimidazol-4-yl]isoquinoline?
The InChIKey is INFXVZOJFYLZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-23-13-17(19-15-8-4-3-7-14(15)11-12-21-19)22-20(23)16-9-5-6-10-18(16)24-2/h3-13H,1-2H3.
What are the key properties of 1-[2-(2-methoxyphenyl)-1-methylimidazol-4-yl]isoquinoline?
1-[2-(2-methoxyphenyl)-1-methylimidazol-4-yl]isoquinoline has a molecular weight of 315.38 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)-1-methylimidazol-4-yl]isoquinoline is sourced from PubChem (CID 171732543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).