1-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]isoquinoline

C23H18N4O — CID 146025712

IUPAC1-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]isoquinoline
SMILESCc1cc(Oc2nccc3ccccc23)ccc1-c1c(C)ncc2nccn12
InChIInChI=1S/C23H18N4O/c1-15-13-18(28-23-20-6-4-3-5-17(20)9-10-25-23)7-8-19(15)22-16(2)26-14-21-24-11-12-27(21)22/h3-14H,1-2H3
InChIKeyFGRWNIHWCDTJQF-UHFFFAOYSA-N
MW366.42 g/mol
LogP5.35
Rot. Bonds3

About 1-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]isoquinoline

1-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]isoquinoline (PubChem CID 146025712) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is 1-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]isoquinoline.

Molecular Properties

Compound Name1-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]isoquinoline
PubChem CID146025712
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC Name1-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]isoquinoline
SMILESCc1cc(Oc2nccc3ccccc23)ccc1-c1c(C)ncc2nccn12
InChIInChI=1S/C23H18N4O/c1-15-13-18(28-23-20-6-4-3-5-17(20)9-10-25-23)7-8-19(15)22-16(2)26-14-21-24-11-12-27(21)22/h3-14H,1-2H3
InChIKeyFGRWNIHWCDTJQF-UHFFFAOYSA-N
XLogP5.35
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]isoquinoline?
The IUPAC name of 1-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]isoquinoline (CID 146025712) is 1-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]isoquinoline.
What is the SMILES notation for 1-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]isoquinoline?
The canonical SMILES for 1-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]isoquinoline is Cc1cc(Oc2nccc3ccccc23)ccc1-c1c(C)ncc2nccn12.
What is the InChIKey of 1-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]isoquinoline?
The InChIKey is FGRWNIHWCDTJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c1-15-13-18(28-23-20-6-4-3-5-17(20)9-10-25-23)7-8-19(15)22-16(2)26-14-21-24-11-12-27(21)22/h3-14H,1-2H3.
What are the key properties of 1-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]isoquinoline?
1-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]isoquinoline has a molecular weight of 366.42 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]isoquinoline is sourced from PubChem (CID 146025712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).