2-N-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2,3-diamine

C24H18FN5O — CID 137430211

IUPAC2-N-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2,3-diamine
SMILESCc1ccc(-c2nc(N)c(Nc3ccc(F)cc3)nc2-c2ccc3ncccc3c2)o1
InChIInChI=1S/C24H18FN5O/c1-14-4-11-20(31-14)22-21(16-5-10-19-15(13-16)3-2-12-27-19)30-24(23(26)29-22)28-18-8-6-17(25)7-9-18/h2-13H,1H3,(H2,26,29)(H,28,30)
InChIKeyMABFPIZZJAZNAG-UHFFFAOYSA-N
MW411.44 g/mol
LogP5.73
Rot. Bonds4

About 2-N-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2,3-diamine

2-N-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2,3-diamine (PubChem CID 137430211) has the molecular formula C24H18FN5O and a molecular weight of 411.44 g/mol. Its IUPAC name is 2-N-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2,3-diamine.

Molecular Properties

Compound Name2-N-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2,3-diamine
PubChem CID137430211
Molecular FormulaC24H18FN5O
Molecular Weight411.44 g/mol
Exact Mass411.15
IUPAC Name2-N-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2,3-diamine
SMILESCc1ccc(-c2nc(N)c(Nc3ccc(F)cc3)nc2-c2ccc3ncccc3c2)o1
InChIInChI=1S/C24H18FN5O/c1-14-4-11-20(31-14)22-21(16-5-10-19-15(13-16)3-2-12-27-19)30-24(23(26)29-22)28-18-8-6-17(25)7-9-18/h2-13H,1H3,(H2,26,29)(H,28,30)
InChIKeyMABFPIZZJAZNAG-UHFFFAOYSA-N
XLogP5.73
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.44
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2,3-diamine?
The IUPAC name of 2-N-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2,3-diamine (CID 137430211) is 2-N-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2,3-diamine.
What is the SMILES notation for 2-N-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2,3-diamine?
The canonical SMILES for 2-N-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2,3-diamine is Cc1ccc(-c2nc(N)c(Nc3ccc(F)cc3)nc2-c2ccc3ncccc3c2)o1.
What is the InChIKey of 2-N-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2,3-diamine?
The InChIKey is MABFPIZZJAZNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5O/c1-14-4-11-20(31-14)22-21(16-5-10-19-15(13-16)3-2-12-27-19)30-24(23(26)29-22)28-18-8-6-17(25)7-9-18/h2-13H,1H3,(H2,26,29)(H,28,30).
What are the key properties of 2-N-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2,3-diamine?
2-N-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2,3-diamine has a molecular weight of 411.44 g/mol, XLogP of 5.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2,3-diamine is sourced from PubChem (CID 137430211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).