(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone

C14H12FN3O — CID 110744006

IUPAC(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCCc2cccc(F)c21
InChIInChI=1S/C14H12FN3O/c15-11-5-1-3-10-4-2-8-18(13(10)11)14(19)12-9-16-6-7-17-12/h1,3,5-7,9H,2,4,8H2
InChIKeyYZYKLIUOEICPBV-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.21
Rot. Bonds1

About (8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone

(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone (PubChem CID 110744006) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is (8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone
PubChem CID110744006
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCCc2cccc(F)c21
InChIInChI=1S/C14H12FN3O/c15-11-5-1-3-10-4-2-8-18(13(10)11)14(19)12-9-16-6-7-17-12/h1,3,5-7,9H,2,4,8H2
InChIKeyYZYKLIUOEICPBV-UHFFFAOYSA-N
XLogP2.21
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone
CID 63215592
(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 134002037
3-(8-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one
CID 110744009
(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 95930576
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone
CID 82706050
1-(pyrazine-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60708488
5-(8-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
CID 110744007
(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 78843598
[4-(2,6-difluoroanilino)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109219687
(5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
CID 167961691
(5-bromo-2-fluorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63214927
[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 26318399

Frequently Asked Questions

What is the IUPAC name of (8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone?
The IUPAC name of (8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone (CID 110744006) is (8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone.
What is the SMILES notation for (8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone?
The canonical SMILES for (8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCCc2cccc(F)c21.
What is the InChIKey of (8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone?
The InChIKey is YZYKLIUOEICPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c15-11-5-1-3-10-4-2-8-18(13(10)11)14(19)12-9-16-6-7-17-12/h1,3,5-7,9H,2,4,8H2.
What are the key properties of (8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone?
(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone has a molecular weight of 257.27 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone is sourced from PubChem (CID 110744006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).