2-(6-chloropyrazin-2-yl)-6-propoxy-3,4-dihydro-1H-isoquinoline

C16H18ClN3O — CID 133394749

IUPAC2-(6-chloropyrazin-2-yl)-6-propoxy-3,4-dihydro-1H-isoquinoline
SMILESCCCOc1ccc2c(c1)CCN(c1cncc(Cl)n1)C2
InChIInChI=1S/C16H18ClN3O/c1-2-7-21-14-4-3-13-11-20(6-5-12(13)8-14)16-10-18-9-15(17)19-16/h3-4,8-10H,2,5-7,11H2,1H3
InChIKeyLRAHQBTUOKILLL-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.48
Rot. Bonds4

About 2-(6-chloropyrazin-2-yl)-6-propoxy-3,4-dihydro-1H-isoquinoline

2-(6-chloropyrazin-2-yl)-6-propoxy-3,4-dihydro-1H-isoquinoline (PubChem CID 133394749) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-(6-chloropyrazin-2-yl)-6-propoxy-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(6-chloropyrazin-2-yl)-6-propoxy-3,4-dihydro-1H-isoquinoline
PubChem CID133394749
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name2-(6-chloropyrazin-2-yl)-6-propoxy-3,4-dihydro-1H-isoquinoline
SMILESCCCOc1ccc2c(c1)CCN(c1cncc(Cl)n1)C2
InChIInChI=1S/C16H18ClN3O/c1-2-7-21-14-4-3-13-11-20(6-5-12(13)8-14)16-10-18-9-15(17)19-16/h3-4,8-10H,2,5-7,11H2,1H3
InChIKeyLRAHQBTUOKILLL-UHFFFAOYSA-N
XLogP3.48
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-propoxy-2-pyrazin-2-yl-3,4-dihydro-1H-isoquinoline
CID 133394692
5-chloro-6-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 133394689
2-(4-methylpyrimidin-2-yl)-6-propoxy-3,4-dihydro-1H-isoquinoline
CID 133394769
3-methyl-5-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-thiadiazole
CID 133394788
2-(4-methyl-5-nitro-2-pyridinyl)-6-propoxy-3,4-dihydro-1H-isoquinoline
CID 133394734
N-(6-methyl-2-pyridinyl)-6-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 127038978
2-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133394633
2-amino-1-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 86814768
2-amino-3-methoxy-1-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one;hydrochloride
CID 120993189
3-nitro-2-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrido[1,2-a]pyrimidin-4-one
CID 133394722
N-[2-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]methanesulfonamide
CID 75431193
2-(3,6-dimethylpyrazin-2-yl)-7-ethoxy-3,4-dihydro-1H-isoquinoline
CID 133469063

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloropyrazin-2-yl)-6-propoxy-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(6-chloropyrazin-2-yl)-6-propoxy-3,4-dihydro-1H-isoquinoline (CID 133394749) is 2-(6-chloropyrazin-2-yl)-6-propoxy-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(6-chloropyrazin-2-yl)-6-propoxy-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(6-chloropyrazin-2-yl)-6-propoxy-3,4-dihydro-1H-isoquinoline is CCCOc1ccc2c(c1)CCN(c1cncc(Cl)n1)C2.
What is the InChIKey of 2-(6-chloropyrazin-2-yl)-6-propoxy-3,4-dihydro-1H-isoquinoline?
The InChIKey is LRAHQBTUOKILLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-2-7-21-14-4-3-13-11-20(6-5-12(13)8-14)16-10-18-9-15(17)19-16/h3-4,8-10H,2,5-7,11H2,1H3.
What are the key properties of 2-(6-chloropyrazin-2-yl)-6-propoxy-3,4-dihydro-1H-isoquinoline?
2-(6-chloropyrazin-2-yl)-6-propoxy-3,4-dihydro-1H-isoquinoline has a molecular weight of 303.79 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloropyrazin-2-yl)-6-propoxy-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 133394749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).