1-(pyrazine-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid

C15H13N3O3 — CID 60708488

IUPAC1-(pyrazine-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2c1CCCN2C(=O)c1cnccn1
InChIInChI=1S/C15H13N3O3/c19-14(12-9-16-6-7-17-12)18-8-2-4-10-11(15(20)21)3-1-5-13(10)18/h1,3,5-7,9H,2,4,8H2,(H,20,21)
InChIKeyKIPIRAWCJLHJCW-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.77
Rot. Bonds2

About 1-(pyrazine-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid

1-(pyrazine-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid (PubChem CID 60708488) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 1-(pyrazine-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid.

Molecular Properties

Compound Name1-(pyrazine-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
PubChem CID60708488
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name1-(pyrazine-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2c1CCCN2C(=O)c1cnccn1
InChIInChI=1S/C15H13N3O3/c19-14(12-9-16-6-7-17-12)18-8-2-4-10-11(15(20)21)3-1-5-13(10)18/h1,3,5-7,9H,2,4,8H2,(H,20,21)
InChIKeyKIPIRAWCJLHJCW-UHFFFAOYSA-N
XLogP1.77
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-amino-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone
CID 82706050
(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone
CID 63215592
(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone
CID 110744006
1-(cyclopentanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 45382581
1-pyridin-4-yl-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 150190729
1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 45382534
1-(2,3-dihydroindole-1-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 146083168
1-[(3-methylpyrazin-2-yl)methyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 167806762
1-(5-oxopyrrolidine-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60832350
1-(3-methoxy-3-methylbutanoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 103018301
1-[(2S)-piperidine-2-carbonyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 104913606
1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60838604

Frequently Asked Questions

What is the IUPAC name of 1-(pyrazine-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The IUPAC name of 1-(pyrazine-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid (CID 60708488) is 1-(pyrazine-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid.
What is the SMILES notation for 1-(pyrazine-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The canonical SMILES for 1-(pyrazine-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid is O=C(O)c1cccc2c1CCCN2C(=O)c1cnccn1.
What is the InChIKey of 1-(pyrazine-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The InChIKey is KIPIRAWCJLHJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c19-14(12-9-16-6-7-17-12)18-8-2-4-10-11(15(20)21)3-1-5-13(10)18/h1,3,5-7,9H,2,4,8H2,(H,20,21).
What are the key properties of 1-(pyrazine-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
1-(pyrazine-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid has a molecular weight of 283.29 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrazine-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid is sourced from PubChem (CID 60708488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).