3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazine-2-carboxylic acid

C16H14FN3O3 — CID 19154792

IUPAC3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazine-2-carboxylic acid
SMILESCC1CCc2cc(F)ccc2N1C(=O)c1nccnc1C(=O)O
InChIInChI=1S/C16H14FN3O3/c1-9-2-3-10-8-11(17)4-5-12(10)20(9)15(21)13-14(16(22)23)19-7-6-18-13/h4-9H,2-3H2,1H3,(H,22,23)
InChIKeySDAMROSAGYOFHA-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.30
Rot. Bonds2

About 3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazine-2-carboxylic acid

3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazine-2-carboxylic acid (PubChem CID 19154792) has the molecular formula C16H14FN3O3 and a molecular weight of 315.30 g/mol. Its IUPAC name is 3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazine-2-carboxylic acid
PubChem CID19154792
Molecular FormulaC16H14FN3O3
Molecular Weight315.30 g/mol
Exact Mass315.10
IUPAC Name3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazine-2-carboxylic acid
SMILESCC1CCc2cc(F)ccc2N1C(=O)c1nccnc1C(=O)O
InChIInChI=1S/C16H14FN3O3/c1-9-2-3-10-8-11(17)4-5-12(10)20(9)15(21)13-14(16(22)23)19-7-6-18-13/h4-9H,2-3H2,1H3,(H,22,23)
InChIKeySDAMROSAGYOFHA-UHFFFAOYSA-N
XLogP2.30
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazine-2-carboxylic acid (CID 19154792) is 3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazine-2-carboxylic acid is CC1CCc2cc(F)ccc2N1C(=O)c1nccnc1C(=O)O.
What is the InChIKey of 3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazine-2-carboxylic acid?
The InChIKey is SDAMROSAGYOFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3/c1-9-2-3-10-8-11(17)4-5-12(10)20(9)15(21)13-14(16(22)23)19-7-6-18-13/h4-9H,2-3H2,1H3,(H,22,23).
What are the key properties of 3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazine-2-carboxylic acid?
3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazine-2-carboxylic acid has a molecular weight of 315.30 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 19154792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).