7,8-difluoro-4-[[(2-methylphenyl)methyl-pyrazin-2-ylamino]methyl]-1H-quinolin-2-one

C22H18F2N4O — CID 25212418

IUPAC7,8-difluoro-4-[[(2-methylphenyl)methyl-pyrazin-2-ylamino]methyl]-1H-quinolin-2-one
SMILESCc1ccccc1CN(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cnccn1
InChIInChI=1S/C22H18F2N4O/c1-14-4-2-3-5-15(14)12-28(19-11-25-8-9-26-19)13-16-10-20(29)27-22-17(16)6-7-18(23)21(22)24/h2-11H,12-13H2,1H3,(H,27,29)
InChIKeyVTEVEQHENPPCQK-UHFFFAOYSA-N
MW392.41 g/mol
LogP4.11
Rot. Bonds5

About 7,8-difluoro-4-[[(2-methylphenyl)methyl-pyrazin-2-ylamino]methyl]-1H-quinolin-2-one

7,8-difluoro-4-[[(2-methylphenyl)methyl-pyrazin-2-ylamino]methyl]-1H-quinolin-2-one (PubChem CID 25212418) has the molecular formula C22H18F2N4O and a molecular weight of 392.41 g/mol. Its IUPAC name is 7,8-difluoro-4-[[(2-methylphenyl)methyl-pyrazin-2-ylamino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7,8-difluoro-4-[[(2-methylphenyl)methyl-pyrazin-2-ylamino]methyl]-1H-quinolin-2-one
PubChem CID25212418
Molecular FormulaC22H18F2N4O
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name7,8-difluoro-4-[[(2-methylphenyl)methyl-pyrazin-2-ylamino]methyl]-1H-quinolin-2-one
SMILESCc1ccccc1CN(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cnccn1
InChIInChI=1S/C22H18F2N4O/c1-14-4-2-3-5-15(14)12-28(19-11-25-8-9-26-19)13-16-10-20(29)27-22-17(16)6-7-18(23)21(22)24/h2-11H,12-13H2,1H3,(H,27,29)
InChIKeyVTEVEQHENPPCQK-UHFFFAOYSA-N
XLogP4.11
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-4-[[(2-methylphenyl)methyl-pyrazin-2-ylamino]methyl]-1H-quinolin-2-one?
The IUPAC name of 7,8-difluoro-4-[[(2-methylphenyl)methyl-pyrazin-2-ylamino]methyl]-1H-quinolin-2-one (CID 25212418) is 7,8-difluoro-4-[[(2-methylphenyl)methyl-pyrazin-2-ylamino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 7,8-difluoro-4-[[(2-methylphenyl)methyl-pyrazin-2-ylamino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 7,8-difluoro-4-[[(2-methylphenyl)methyl-pyrazin-2-ylamino]methyl]-1H-quinolin-2-one is Cc1ccccc1CN(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cnccn1.
What is the InChIKey of 7,8-difluoro-4-[[(2-methylphenyl)methyl-pyrazin-2-ylamino]methyl]-1H-quinolin-2-one?
The InChIKey is VTEVEQHENPPCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O/c1-14-4-2-3-5-15(14)12-28(19-11-25-8-9-26-19)13-16-10-20(29)27-22-17(16)6-7-18(23)21(22)24/h2-11H,12-13H2,1H3,(H,27,29).
What are the key properties of 7,8-difluoro-4-[[(2-methylphenyl)methyl-pyrazin-2-ylamino]methyl]-1H-quinolin-2-one?
7,8-difluoro-4-[[(2-methylphenyl)methyl-pyrazin-2-ylamino]methyl]-1H-quinolin-2-one has a molecular weight of 392.41 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-4-[[(2-methylphenyl)methyl-pyrazin-2-ylamino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 25212418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).