3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)pyrazin-2-yl]methanone

C15H16N4O — CID 107374099

IUPAC3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)pyrazin-2-yl]methanone
SMILESCNc1cnc(C(=O)N2CCCc3ccccc32)cn1
InChIInChI=1S/C15H16N4O/c1-16-14-10-17-12(9-18-14)15(20)19-8-4-6-11-5-2-3-7-13(11)19/h2-3,5,7,9-10H,4,6,8H2,1H3,(H,16,18)
InChIKeyJZBLZBDDXKOJJC-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.11
Rot. Bonds2

About 3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)pyrazin-2-yl]methanone

3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)pyrazin-2-yl]methanone (PubChem CID 107374099) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)pyrazin-2-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)pyrazin-2-yl]methanone
PubChem CID107374099
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)pyrazin-2-yl]methanone
SMILESCNc1cnc(C(=O)N2CCCc3ccccc32)cn1
InChIInChI=1S/C15H16N4O/c1-16-14-10-17-12(9-18-14)15(20)19-8-4-6-11-5-2-3-7-13(11)19/h2-3,5,7,9-10H,4,6,8H2,1H3,(H,16,18)
InChIKeyJZBLZBDDXKOJJC-UHFFFAOYSA-N
XLogP2.11
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-[5-[2-(2-methoxyphenyl)ethylamino]pyrazin-2-yl]methanone
CID 109284671
2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)pyrazin-2-yl]methanone
CID 109290400
3,4-dihydro-2H-quinolin-1-yl-[5-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109179730
[5-(methylamino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 107374043
3,4-dihydro-2H-quinolin-1-yl-[5-(2,4-dimethoxyanilino)pyrazin-2-yl]methanone
CID 109290596
2,3-dihydroindol-1-yl-[5-(methylamino)-2-pyridinyl]methanone
CID 104639992
[5-(butan-2-ylamino)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109273397
methyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxylate
CID 31676778
(5-anilino-2-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109197060
3,4-dihydro-2H-quinolin-1-yl-[6-(ethylamino)-3-pyridinyl]methanone
CID 62172128
2,3-dihydroindol-1-yl-[5-(2-propan-2-ylanilino)pyrazin-2-yl]methanone
CID 109290407
3,4-dihydro-2H-quinolin-1-yl-[3-(methylamino)-4-pyridinyl]methanone
CID 105068094

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)pyrazin-2-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)pyrazin-2-yl]methanone (CID 107374099) is 3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)pyrazin-2-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)pyrazin-2-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)pyrazin-2-yl]methanone is CNc1cnc(C(=O)N2CCCc3ccccc32)cn1.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)pyrazin-2-yl]methanone?
The InChIKey is JZBLZBDDXKOJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-16-14-10-17-12(9-18-14)15(20)19-8-4-6-11-5-2-3-7-13(11)19/h2-3,5,7,9-10H,4,6,8H2,1H3,(H,16,18).
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)pyrazin-2-yl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)pyrazin-2-yl]methanone has a molecular weight of 268.32 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)pyrazin-2-yl]methanone is sourced from PubChem (CID 107374099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).