7,8-difluoro-4-[[pyrazin-2-yl(pyridin-2-ylmethyl)amino]methyl]-1H-quinolin-2-one

C20H15F2N5O — CID 57396785

IUPAC7,8-difluoro-4-[[pyrazin-2-yl(pyridin-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
SMILESO=c1cc(CN(Cc2ccccn2)c2cnccn2)c2ccc(F)c(F)c2[nH]1
InChIInChI=1S/C20H15F2N5O/c21-16-5-4-15-13(9-18(28)26-20(15)19(16)22)11-27(17-10-23-7-8-25-17)12-14-3-1-2-6-24-14/h1-10H,11-12H2,(H,26,28)
InChIKeyIFSBGHCNMNCHCY-UHFFFAOYSA-N
MW379.37 g/mol
LogP3.20
Rot. Bonds5

About 7,8-difluoro-4-[[pyrazin-2-yl(pyridin-2-ylmethyl)amino]methyl]-1H-quinolin-2-one

7,8-difluoro-4-[[pyrazin-2-yl(pyridin-2-ylmethyl)amino]methyl]-1H-quinolin-2-one (PubChem CID 57396785) has the molecular formula C20H15F2N5O and a molecular weight of 379.37 g/mol. Its IUPAC name is 7,8-difluoro-4-[[pyrazin-2-yl(pyridin-2-ylmethyl)amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7,8-difluoro-4-[[pyrazin-2-yl(pyridin-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
PubChem CID57396785
Molecular FormulaC20H15F2N5O
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC Name7,8-difluoro-4-[[pyrazin-2-yl(pyridin-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
SMILESO=c1cc(CN(Cc2ccccn2)c2cnccn2)c2ccc(F)c(F)c2[nH]1
InChIInChI=1S/C20H15F2N5O/c21-16-5-4-15-13(9-18(28)26-20(15)19(16)22)11-27(17-10-23-7-8-25-17)12-14-3-1-2-6-24-14/h1-10H,11-12H2,(H,26,28)
InChIKeyIFSBGHCNMNCHCY-UHFFFAOYSA-N
XLogP3.20
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-4-[[pyrazin-2-yl(pyridin-2-ylmethyl)amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 7,8-difluoro-4-[[pyrazin-2-yl(pyridin-2-ylmethyl)amino]methyl]-1H-quinolin-2-one (CID 57396785) is 7,8-difluoro-4-[[pyrazin-2-yl(pyridin-2-ylmethyl)amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 7,8-difluoro-4-[[pyrazin-2-yl(pyridin-2-ylmethyl)amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 7,8-difluoro-4-[[pyrazin-2-yl(pyridin-2-ylmethyl)amino]methyl]-1H-quinolin-2-one is O=c1cc(CN(Cc2ccccn2)c2cnccn2)c2ccc(F)c(F)c2[nH]1.
What is the InChIKey of 7,8-difluoro-4-[[pyrazin-2-yl(pyridin-2-ylmethyl)amino]methyl]-1H-quinolin-2-one?
The InChIKey is IFSBGHCNMNCHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5O/c21-16-5-4-15-13(9-18(28)26-20(15)19(16)22)11-27(17-10-23-7-8-25-17)12-14-3-1-2-6-24-14/h1-10H,11-12H2,(H,26,28).
What are the key properties of 7,8-difluoro-4-[[pyrazin-2-yl(pyridin-2-ylmethyl)amino]methyl]-1H-quinolin-2-one?
7,8-difluoro-4-[[pyrazin-2-yl(pyridin-2-ylmethyl)amino]methyl]-1H-quinolin-2-one has a molecular weight of 379.37 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-4-[[pyrazin-2-yl(pyridin-2-ylmethyl)amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 57396785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).