4-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxy-1-methylpyrrolidin-2-one

C24H20ClN5O2 — CID 137430105

IUPAC4-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxy-1-methylpyrrolidin-2-one
SMILESCN1CC(Oc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)CC1=O
InChIInChI=1S/C24H20ClN5O2/c1-30-13-17(12-19(30)31)32-24-23(26)28-21(14-6-3-2-4-7-14)22(29-24)16-10-15-8-5-9-27-20(15)18(25)11-16/h2-11,17H,12-13H2,1H3,(H2,26,28)
InChIKeyKSSCFDJDBZFQRR-UHFFFAOYSA-N
MW445.91 g/mol
LogP4.20
Rot. Bonds4

About 4-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxy-1-methylpyrrolidin-2-one

4-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxy-1-methylpyrrolidin-2-one (PubChem CID 137430105) has the molecular formula C24H20ClN5O2 and a molecular weight of 445.91 g/mol. Its IUPAC name is 4-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxy-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxy-1-methylpyrrolidin-2-one
PubChem CID137430105
Molecular FormulaC24H20ClN5O2
Molecular Weight445.91 g/mol
Exact Mass445.13
IUPAC Name4-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxy-1-methylpyrrolidin-2-one
SMILESCN1CC(Oc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)CC1=O
InChIInChI=1S/C24H20ClN5O2/c1-30-13-17(12-19(30)31)32-24-23(26)28-21(14-6-3-2-4-7-14)22(29-24)16-10-15-8-5-9-27-20(15)18(25)11-16/h2-11,17H,12-13H2,1H3,(H2,26,28)
InChIKeyKSSCFDJDBZFQRR-UHFFFAOYSA-N
XLogP4.20
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.91
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxy-1-methylpyrrolidin-2-one?
The IUPAC name of 4-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxy-1-methylpyrrolidin-2-one (CID 137430105) is 4-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxy-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxy-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxy-1-methylpyrrolidin-2-one is CN1CC(Oc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)CC1=O.
What is the InChIKey of 4-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxy-1-methylpyrrolidin-2-one?
The InChIKey is KSSCFDJDBZFQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O2/c1-30-13-17(12-19(30)31)32-24-23(26)28-21(14-6-3-2-4-7-14)22(29-24)16-10-15-8-5-9-27-20(15)18(25)11-16/h2-11,17H,12-13H2,1H3,(H2,26,28).
What are the key properties of 4-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxy-1-methylpyrrolidin-2-one?
4-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxy-1-methylpyrrolidin-2-one has a molecular weight of 445.91 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxy-1-methylpyrrolidin-2-one is sourced from PubChem (CID 137430105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).