(5-amino-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone

C14H14N4O — CID 82706050

IUPAC(5-amino-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone
SMILESNc1cccc2c1CCCN2C(=O)c1cnccn1
InChIInChI=1S/C14H14N4O/c15-11-4-1-5-13-10(11)3-2-8-18(13)14(19)12-9-16-6-7-17-12/h1,4-7,9H,2-3,8,15H2
InChIKeyKQXGJPUINRIPKE-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.65
Rot. Bonds1

About (5-amino-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone

(5-amino-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone (PubChem CID 82706050) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is (5-amino-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name(5-amino-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone
PubChem CID82706050
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name(5-amino-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone
SMILESNc1cccc2c1CCCN2C(=O)c1cnccn1
InChIInChI=1S/C14H14N4O/c15-11-4-1-5-13-10(11)3-2-8-18(13)14(19)12-9-16-6-7-17-12/h1,4-7,9H,2-3,8,15H2
InChIKeyKQXGJPUINRIPKE-UHFFFAOYSA-N
XLogP1.65
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(pyrazine-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60708488
(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone
CID 63215592
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
CID 82706431
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-iodophenyl)methanone
CID 82705307
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,6-dichlorophenyl)methanone
CID 82744828
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-methylthiophen-3-yl)methanone
CID 82707193
(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone
CID 110744006
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(furan-3-yl)methanone
CID 82704663
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 82706528
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-iodothiophen-3-yl)methanone
CID 82706052
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopentylmethanone
CID 82707476
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-piperidin-1-ylmethanone
CID 82761808

Frequently Asked Questions

What is the IUPAC name of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone?
The IUPAC name of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone (CID 82706050) is (5-amino-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone.
What is the SMILES notation for (5-amino-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone?
The canonical SMILES for (5-amino-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone is Nc1cccc2c1CCCN2C(=O)c1cnccn1.
What is the InChIKey of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone?
The InChIKey is KQXGJPUINRIPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c15-11-4-1-5-13-10(11)3-2-8-18(13)14(19)12-9-16-6-7-17-12/h1,4-7,9H,2-3,8,15H2.
What are the key properties of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone?
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone has a molecular weight of 254.29 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone is sourced from PubChem (CID 82706050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).