5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine

C26H18ClFN4O — CID 137431321

IUPAC5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1OCc1ccc(F)cc1
InChIInChI=1S/C26H18ClFN4O/c27-21-14-19(13-18-7-4-12-30-22(18)21)24-23(17-5-2-1-3-6-17)31-25(29)26(32-24)33-15-16-8-10-20(28)11-9-16/h1-14H,15H2,(H2,29,31)
InChIKeyYBJISVXAHLQEGY-UHFFFAOYSA-N
MW456.91 g/mol
LogP6.31
Rot. Bonds5

About 5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine

5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine (PubChem CID 137431321) has the molecular formula C26H18ClFN4O and a molecular weight of 456.91 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine
PubChem CID137431321
Molecular FormulaC26H18ClFN4O
Molecular Weight456.91 g/mol
Exact Mass456.12
IUPAC Name5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1OCc1ccc(F)cc1
InChIInChI=1S/C26H18ClFN4O/c27-21-14-19(13-18-7-4-12-30-22(18)21)24-23(17-5-2-1-3-6-17)31-25(29)26(32-24)33-15-16-8-10-20(28)11-9-16/h1-14H,15H2,(H2,29,31)
InChIKeyYBJISVXAHLQEGY-UHFFFAOYSA-N
XLogP6.31
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.91
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 21111074
CID 21111074
CID 21111076
CID 21111076
CID 21111077
CID 21111077
CID 21111078
CID 21111078
CID 21111080
CID 21111080
CID 21111081
CID 21111081
CID 58886622
CID 58886622
CID 69458901
CID 69458901
CID 137430243
CID 137430243
CID 137430555
CID 137430555
CID 137430568
CID 137430568
CID 137430731
CID 137430731

Frequently Asked Questions

What is the IUPAC name of 5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine (CID 137431321) is 5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine is Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1OCc1ccc(F)cc1.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine?
The InChIKey is YBJISVXAHLQEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClFN4O/c27-21-14-19(13-18-7-4-12-30-22(18)21)24-23(17-5-2-1-3-6-17)31-25(29)26(32-24)33-15-16-8-10-20(28)11-9-16/h1-14H,15H2,(H2,29,31).
What are the key properties of 5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine has a molecular weight of 456.91 g/mol, XLogP of 6.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine is sourced from PubChem (CID 137431321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).