5-(8-chloroquinolin-6-yl)-6-phenyl-3-pyridin-3-yloxypyrazin-2-amine

C24H16ClN5O — CID 137430309

IUPAC5-(8-chloroquinolin-6-yl)-6-phenyl-3-pyridin-3-yloxypyrazin-2-amine
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1Oc1cccnc1
InChIInChI=1S/C24H16ClN5O/c25-19-13-17(12-16-8-4-11-28-20(16)19)22-21(15-6-2-1-3-7-15)29-23(26)24(30-22)31-18-9-5-10-27-14-18/h1-14H,(H2,26,29)
InChIKeyTYXVLSCCLAWHLC-UHFFFAOYSA-N
MW425.88 g/mol
LogP5.78
Rot. Bonds4

About 5-(8-chloroquinolin-6-yl)-6-phenyl-3-pyridin-3-yloxypyrazin-2-amine

5-(8-chloroquinolin-6-yl)-6-phenyl-3-pyridin-3-yloxypyrazin-2-amine (PubChem CID 137430309) has the molecular formula C24H16ClN5O and a molecular weight of 425.88 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-6-phenyl-3-pyridin-3-yloxypyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-6-phenyl-3-pyridin-3-yloxypyrazin-2-amine
PubChem CID137430309
Molecular FormulaC24H16ClN5O
Molecular Weight425.88 g/mol
Exact Mass425.10
IUPAC Name5-(8-chloroquinolin-6-yl)-6-phenyl-3-pyridin-3-yloxypyrazin-2-amine
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1Oc1cccnc1
InChIInChI=1S/C24H16ClN5O/c25-19-13-17(12-16-8-4-11-28-20(16)19)22-21(15-6-2-1-3-7-15)29-23(26)24(30-22)31-18-9-5-10-27-14-18/h1-14H,(H2,26,29)
InChIKeyTYXVLSCCLAWHLC-UHFFFAOYSA-N
XLogP5.78
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.88
LogP ≤ 55.78
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-pyridin-3-yloxypyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-6-phenyl-3-pyridin-3-yloxypyrazin-2-amine (CID 137430309) is 5-(8-chloroquinolin-6-yl)-6-phenyl-3-pyridin-3-yloxypyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-6-phenyl-3-pyridin-3-yloxypyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-6-phenyl-3-pyridin-3-yloxypyrazin-2-amine is Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1Oc1cccnc1.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-6-phenyl-3-pyridin-3-yloxypyrazin-2-amine?
The InChIKey is TYXVLSCCLAWHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN5O/c25-19-13-17(12-16-8-4-11-28-20(16)19)22-21(15-6-2-1-3-7-15)29-23(26)24(30-22)31-18-9-5-10-27-14-18/h1-14H,(H2,26,29).
What are the key properties of 5-(8-chloroquinolin-6-yl)-6-phenyl-3-pyridin-3-yloxypyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-6-phenyl-3-pyridin-3-yloxypyrazin-2-amine has a molecular weight of 425.88 g/mol, XLogP of 5.78, 4 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-pyridin-3-yloxypyrazin-2-amine is sourced from PubChem (CID 137430309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).