(5-anilinopyrazin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

C20H18N4O — CID 109284050

IUPAC(5-anilinopyrazin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(c1cnc(Nc2ccccc2)cn1)N1CCc2ccccc2C1
InChIInChI=1S/C20H18N4O/c25-20(24-11-10-15-6-4-5-7-16(15)14-24)18-12-22-19(13-21-18)23-17-8-2-1-3-9-17/h1-9,12-13H,10-11,14H2,(H,22,23)
InChIKeyOUDPVAZULRLIJA-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.42
Rot. Bonds3

About (5-anilinopyrazin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

(5-anilinopyrazin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 109284050) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is (5-anilinopyrazin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name(5-anilinopyrazin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID109284050
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name(5-anilinopyrazin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(c1cnc(Nc2ccccc2)cn1)N1CCc2ccccc2C1
InChIInChI=1S/C20H18N4O/c25-20(24-11-10-15-6-4-5-7-16(15)14-24)18-12-22-19(13-21-18)23-17-8-2-1-3-9-17/h1-9,12-13H,10-11,14H2,(H,22,23)
InChIKeyOUDPVAZULRLIJA-UHFFFAOYSA-N
XLogP3.42
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-[5-(3,5-dimethylanilino)pyrazin-2-yl]methanone
CID 109284060
(4-anilino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109213775
3,4-dihydro-1H-isoquinolin-2-yl-[5-(2-morpholin-4-ylethylamino)pyrazin-2-yl]methanone
CID 109277620
3,4-dihydro-1H-isoquinolin-2-yl-[5-[(2-fluorophenyl)methylamino]pyrazin-2-yl]methanone
CID 109281425
(5-anilinopyrazin-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 109278481
3,4-dihydro-1H-isoquinolin-2-yl-(5-piperidin-1-ylpyrazin-2-yl)methanone
CID 109274481
[6-(4-chloroanilino)pyrimidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109350790
3,4-dihydro-1H-isoquinolin-2-yl-[5-(ethylamino)-2-pyridinyl]methanone
CID 104639927
(5-anilinopyrazin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109285593
(5-amino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 81319420
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylic acid
CID 43414633
3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-yl]methanone
CID 109284033

Frequently Asked Questions

What is the IUPAC name of (5-anilinopyrazin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of (5-anilinopyrazin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 109284050) is (5-anilinopyrazin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for (5-anilinopyrazin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for (5-anilinopyrazin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is O=C(c1cnc(Nc2ccccc2)cn1)N1CCc2ccccc2C1.
What is the InChIKey of (5-anilinopyrazin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is OUDPVAZULRLIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c25-20(24-11-10-15-6-4-5-7-16(15)14-24)18-12-22-19(13-21-18)23-17-8-2-1-3-9-17/h1-9,12-13H,10-11,14H2,(H,22,23).
What are the key properties of (5-anilinopyrazin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
(5-anilinopyrazin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 330.39 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-anilinopyrazin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 109284050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).