N-[2-[3-(trifluoromethyl)phenyl]quinolin-8-yl]pyrazine-2-carboxamide

C21H13F3N4O — CID 44554952

IUPACN-[2-[3-(trifluoromethyl)phenyl]quinolin-8-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1cccc2ccc(-c3cccc(C(F)(F)F)c3)nc12)c1cnccn1
InChIInChI=1S/C21H13F3N4O/c22-21(23,24)15-5-1-4-14(11-15)16-8-7-13-3-2-6-17(19(13)27-16)28-20(29)18-12-25-9-10-26-18/h1-12H,(H,28,29)
InChIKeyMVHIJPKOUORLRJ-UHFFFAOYSA-N
MW394.36 g/mol
LogP4.96
Rot. Bonds3

About N-[2-[3-(trifluoromethyl)phenyl]quinolin-8-yl]pyrazine-2-carboxamide

N-[2-[3-(trifluoromethyl)phenyl]quinolin-8-yl]pyrazine-2-carboxamide (PubChem CID 44554952) has the molecular formula C21H13F3N4O and a molecular weight of 394.36 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)phenyl]quinolin-8-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)phenyl]quinolin-8-yl]pyrazine-2-carboxamide
PubChem CID44554952
Molecular FormulaC21H13F3N4O
Molecular Weight394.36 g/mol
Exact Mass394.10
IUPAC NameN-[2-[3-(trifluoromethyl)phenyl]quinolin-8-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1cccc2ccc(-c3cccc(C(F)(F)F)c3)nc12)c1cnccn1
InChIInChI=1S/C21H13F3N4O/c22-21(23,24)15-5-1-4-14(11-15)16-8-7-13-3-2-6-17(19(13)27-16)28-20(29)18-12-25-9-10-26-18/h1-12H,(H,28,29)
InChIKeyMVHIJPKOUORLRJ-UHFFFAOYSA-N
XLogP4.96
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.36
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(trifluoromethyl)phenyl]quinolin-8-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[3-(trifluoromethyl)phenyl]quinolin-8-yl]pyrazine-2-carboxamide (CID 44554952) is N-[2-[3-(trifluoromethyl)phenyl]quinolin-8-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)phenyl]quinolin-8-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[3-(trifluoromethyl)phenyl]quinolin-8-yl]pyrazine-2-carboxamide is O=C(Nc1cccc2ccc(-c3cccc(C(F)(F)F)c3)nc12)c1cnccn1.
What is the InChIKey of N-[2-[3-(trifluoromethyl)phenyl]quinolin-8-yl]pyrazine-2-carboxamide?
The InChIKey is MVHIJPKOUORLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N4O/c22-21(23,24)15-5-1-4-14(11-15)16-8-7-13-3-2-6-17(19(13)27-16)28-20(29)18-12-25-9-10-26-18/h1-12H,(H,28,29).
What are the key properties of N-[2-[3-(trifluoromethyl)phenyl]quinolin-8-yl]pyrazine-2-carboxamide?
N-[2-[3-(trifluoromethyl)phenyl]quinolin-8-yl]pyrazine-2-carboxamide has a molecular weight of 394.36 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(trifluoromethyl)phenyl]quinolin-8-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 44554952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).