5-(8-chloroquinolin-6-yl)-3-(1-methylpyrrol-3-yl)oxy-6-phenylpyrazin-2-amine

C24H18ClN5O — CID 137430319

IUPAC5-(8-chloroquinolin-6-yl)-3-(1-methylpyrrol-3-yl)oxy-6-phenylpyrazin-2-amine
SMILESCn1ccc(Oc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)c1
InChIInChI=1S/C24H18ClN5O/c1-30-11-9-18(14-30)31-24-23(26)28-21(15-6-3-2-4-7-15)22(29-24)17-12-16-8-5-10-27-20(16)19(25)13-17/h2-14H,1H3,(H2,26,28)
InChIKeyXCNOQXJNKFFYAC-UHFFFAOYSA-N
MW427.90 g/mol
LogP5.73
Rot. Bonds4

About 5-(8-chloroquinolin-6-yl)-3-(1-methylpyrrol-3-yl)oxy-6-phenylpyrazin-2-amine

5-(8-chloroquinolin-6-yl)-3-(1-methylpyrrol-3-yl)oxy-6-phenylpyrazin-2-amine (PubChem CID 137430319) has the molecular formula C24H18ClN5O and a molecular weight of 427.90 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-3-(1-methylpyrrol-3-yl)oxy-6-phenylpyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-3-(1-methylpyrrol-3-yl)oxy-6-phenylpyrazin-2-amine
PubChem CID137430319
Molecular FormulaC24H18ClN5O
Molecular Weight427.90 g/mol
Exact Mass427.12
IUPAC Name5-(8-chloroquinolin-6-yl)-3-(1-methylpyrrol-3-yl)oxy-6-phenylpyrazin-2-amine
SMILESCn1ccc(Oc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)c1
InChIInChI=1S/C24H18ClN5O/c1-30-11-9-18(14-30)31-24-23(26)28-21(15-6-3-2-4-7-15)22(29-24)17-12-16-8-5-10-27-20(16)19(25)13-17/h2-14H,1H3,(H2,26,28)
InChIKeyXCNOQXJNKFFYAC-UHFFFAOYSA-N
XLogP5.73
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.90
LogP ≤ 55.73
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)-3-(1-methylpyrrol-3-yl)oxy-6-phenylpyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-3-(1-methylpyrrol-3-yl)oxy-6-phenylpyrazin-2-amine (CID 137430319) is 5-(8-chloroquinolin-6-yl)-3-(1-methylpyrrol-3-yl)oxy-6-phenylpyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-3-(1-methylpyrrol-3-yl)oxy-6-phenylpyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-3-(1-methylpyrrol-3-yl)oxy-6-phenylpyrazin-2-amine is Cn1ccc(Oc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)c1.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-3-(1-methylpyrrol-3-yl)oxy-6-phenylpyrazin-2-amine?
The InChIKey is XCNOQXJNKFFYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN5O/c1-30-11-9-18(14-30)31-24-23(26)28-21(15-6-3-2-4-7-15)22(29-24)17-12-16-8-5-10-27-20(16)19(25)13-17/h2-14H,1H3,(H2,26,28).
What are the key properties of 5-(8-chloroquinolin-6-yl)-3-(1-methylpyrrol-3-yl)oxy-6-phenylpyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-3-(1-methylpyrrol-3-yl)oxy-6-phenylpyrazin-2-amine has a molecular weight of 427.90 g/mol, XLogP of 5.73, 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)-3-(1-methylpyrrol-3-yl)oxy-6-phenylpyrazin-2-amine is sourced from PubChem (CID 137430319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).