6-chloro-N-ethyl-3-isoquinolin-4-yl-7-methoxyquinoxalin-2-amine

C20H17ClN4O — CID 56952633

IUPAC6-chloro-N-ethyl-3-isoquinolin-4-yl-7-methoxyquinoxalin-2-amine
SMILESCCNc1nc2cc(OC)c(Cl)cc2nc1-c1cncc2ccccc12
InChIInChI=1S/C20H17ClN4O/c1-3-23-20-19(14-11-22-10-12-6-4-5-7-13(12)14)24-16-8-15(21)18(26-2)9-17(16)25-20/h4-11H,3H2,1-2H3,(H,23,25)
InChIKeyDYWZPAHYUUQFQY-UHFFFAOYSA-N
MW364.84 g/mol
LogP4.94
Rot. Bonds4

About 6-chloro-N-ethyl-3-isoquinolin-4-yl-7-methoxyquinoxalin-2-amine

6-chloro-N-ethyl-3-isoquinolin-4-yl-7-methoxyquinoxalin-2-amine (PubChem CID 56952633) has the molecular formula C20H17ClN4O and a molecular weight of 364.84 g/mol. Its IUPAC name is 6-chloro-N-ethyl-3-isoquinolin-4-yl-7-methoxyquinoxalin-2-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-3-isoquinolin-4-yl-7-methoxyquinoxalin-2-amine
PubChem CID56952633
Molecular FormulaC20H17ClN4O
Molecular Weight364.84 g/mol
Exact Mass364.11
IUPAC Name6-chloro-N-ethyl-3-isoquinolin-4-yl-7-methoxyquinoxalin-2-amine
SMILESCCNc1nc2cc(OC)c(Cl)cc2nc1-c1cncc2ccccc12
InChIInChI=1S/C20H17ClN4O/c1-3-23-20-19(14-11-22-10-12-6-4-5-7-13(12)14)24-16-8-15(21)18(26-2)9-17(16)25-20/h4-11H,3H2,1-2H3,(H,23,25)
InChIKeyDYWZPAHYUUQFQY-UHFFFAOYSA-N
XLogP4.94
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-3-isoquinolin-4-yl-7-methoxyquinoxalin-2-amine?
The IUPAC name of 6-chloro-N-ethyl-3-isoquinolin-4-yl-7-methoxyquinoxalin-2-amine (CID 56952633) is 6-chloro-N-ethyl-3-isoquinolin-4-yl-7-methoxyquinoxalin-2-amine.
What is the SMILES notation for 6-chloro-N-ethyl-3-isoquinolin-4-yl-7-methoxyquinoxalin-2-amine?
The canonical SMILES for 6-chloro-N-ethyl-3-isoquinolin-4-yl-7-methoxyquinoxalin-2-amine is CCNc1nc2cc(OC)c(Cl)cc2nc1-c1cncc2ccccc12.
What is the InChIKey of 6-chloro-N-ethyl-3-isoquinolin-4-yl-7-methoxyquinoxalin-2-amine?
The InChIKey is DYWZPAHYUUQFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O/c1-3-23-20-19(14-11-22-10-12-6-4-5-7-13(12)14)24-16-8-15(21)18(26-2)9-17(16)25-20/h4-11H,3H2,1-2H3,(H,23,25).
What are the key properties of 6-chloro-N-ethyl-3-isoquinolin-4-yl-7-methoxyquinoxalin-2-amine?
6-chloro-N-ethyl-3-isoquinolin-4-yl-7-methoxyquinoxalin-2-amine has a molecular weight of 364.84 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-3-isoquinolin-4-yl-7-methoxyquinoxalin-2-amine is sourced from PubChem (CID 56952633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).