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

C14H13N3O2 — CID 63215592

IUPAC(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCCc2cccc(O)c21
InChIInChI=1S/C14H13N3O2/c18-12-5-1-3-10-4-2-8-17(13(10)12)14(19)11-9-15-6-7-16-11/h1,3,5-7,9,18H,2,4,8H2
InChIKeyRSPLTPLUGHDASQ-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.78
Rot. Bonds1

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

(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone (PubChem CID 63215592) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is (8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone
PubChem CID63215592
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCCc2cccc(O)c21
InChIInChI=1S/C14H13N3O2/c18-12-5-1-3-10-4-2-8-17(13(10)12)14(19)11-9-15-6-7-16-11/h1,3,5-7,9,18H,2,4,8H2
InChIKeyRSPLTPLUGHDASQ-UHFFFAOYSA-N
XLogP1.78
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone?
The IUPAC name of (8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone (CID 63215592) is (8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone.
What is the SMILES notation for (8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone?
The canonical SMILES for (8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCCc2cccc(O)c21.
What is the InChIKey of (8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone?
The InChIKey is RSPLTPLUGHDASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c18-12-5-1-3-10-4-2-8-17(13(10)12)14(19)11-9-15-6-7-16-11/h1,3,5-7,9,18H,2,4,8H2.
What are the key properties of (8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone?
(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone has a molecular weight of 255.28 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone is sourced from PubChem (CID 63215592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).