5-(8-chloroquinolin-6-yl)-6-phenyl-3-[(6-propan-2-yl-2-pyridinyl)methoxy]pyrazin-2-amine

C28H24ClN5O — CID 154658153

IUPAC5-(8-chloroquinolin-6-yl)-6-phenyl-3-[(6-propan-2-yl-2-pyridinyl)methoxy]pyrazin-2-amine
SMILESCC(C)c1cccc(COc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)n1
InChIInChI=1S/C28H24ClN5O/c1-17(2)23-12-6-11-21(32-23)16-35-28-27(30)33-25(18-8-4-3-5-9-18)26(34-28)20-14-19-10-7-13-31-24(19)22(29)15-20/h3-15,17H,16H2,1-2H3,(H2,30,33)
InChIKeyBLWBXLNRHNQFFN-UHFFFAOYSA-N
MW481.99 g/mol
LogP6.69
Rot. Bonds6

About 5-(8-chloroquinolin-6-yl)-6-phenyl-3-[(6-propan-2-yl-2-pyridinyl)methoxy]pyrazin-2-amine

5-(8-chloroquinolin-6-yl)-6-phenyl-3-[(6-propan-2-yl-2-pyridinyl)methoxy]pyrazin-2-amine (PubChem CID 154658153) has the molecular formula C28H24ClN5O and a molecular weight of 481.99 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-6-phenyl-3-[(6-propan-2-yl-2-pyridinyl)methoxy]pyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-6-phenyl-3-[(6-propan-2-yl-2-pyridinyl)methoxy]pyrazin-2-amine
PubChem CID154658153
Molecular FormulaC28H24ClN5O
Molecular Weight481.99 g/mol
Exact Mass481.17
IUPAC Name5-(8-chloroquinolin-6-yl)-6-phenyl-3-[(6-propan-2-yl-2-pyridinyl)methoxy]pyrazin-2-amine
SMILESCC(C)c1cccc(COc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)n1
InChIInChI=1S/C28H24ClN5O/c1-17(2)23-12-6-11-21(32-23)16-35-28-27(30)33-25(18-8-4-3-5-9-18)26(34-28)20-14-19-10-7-13-31-24(19)22(29)15-20/h3-15,17H,16H2,1-2H3,(H2,30,33)
InChIKeyBLWBXLNRHNQFFN-UHFFFAOYSA-N
XLogP6.69
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.99
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(8-chloroquinolin-6-yl)-6-phenyl-3-[(6-propan-2-yl-2-pyridinyl)methoxy]pyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-6-phenyl-3-[(6-propan-2-yl-2-pyridinyl)methoxy]pyrazin-2-amine (CID 154658153) is 5-(8-chloroquinolin-6-yl)-6-phenyl-3-[(6-propan-2-yl-2-pyridinyl)methoxy]pyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-6-phenyl-3-[(6-propan-2-yl-2-pyridinyl)methoxy]pyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-6-phenyl-3-[(6-propan-2-yl-2-pyridinyl)methoxy]pyrazin-2-amine is CC(C)c1cccc(COc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)n1.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-6-phenyl-3-[(6-propan-2-yl-2-pyridinyl)methoxy]pyrazin-2-amine?
The InChIKey is BLWBXLNRHNQFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClN5O/c1-17(2)23-12-6-11-21(32-23)16-35-28-27(30)33-25(18-8-4-3-5-9-18)26(34-28)20-14-19-10-7-13-31-24(19)22(29)15-20/h3-15,17H,16H2,1-2H3,(H2,30,33).
What are the key properties of 5-(8-chloroquinolin-6-yl)-6-phenyl-3-[(6-propan-2-yl-2-pyridinyl)methoxy]pyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-6-phenyl-3-[(6-propan-2-yl-2-pyridinyl)methoxy]pyrazin-2-amine has a molecular weight of 481.99 g/mol, XLogP of 6.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-chloroquinolin-6-yl)-6-phenyl-3-[(6-propan-2-yl-2-pyridinyl)methoxy]pyrazin-2-amine is sourced from PubChem (CID 154658153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).