N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]pyrazine-2-carbohydrazide

C16H17N5O2 — CID 27680928

IUPACN'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]pyrazine-2-carbohydrazide
SMILESO=C(CN1CCCc2ccccc21)NNC(=O)c1cnccn1
InChIInChI=1S/C16H17N5O2/c22-15(19-20-16(23)13-10-17-7-8-18-13)11-21-9-3-5-12-4-1-2-6-14(12)21/h1-2,4,6-8,10H,3,5,9,11H2,(H,19,22)(H,20,23)
InChIKeyMKZAVIBKJQTKFY-UHFFFAOYSA-N
MW311.35 g/mol
LogP0.69
Rot. Bonds3

About N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]pyrazine-2-carbohydrazide

N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]pyrazine-2-carbohydrazide (PubChem CID 27680928) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]pyrazine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]pyrazine-2-carbohydrazide
PubChem CID27680928
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC NameN'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]pyrazine-2-carbohydrazide
SMILESO=C(CN1CCCc2ccccc21)NNC(=O)c1cnccn1
InChIInChI=1S/C16H17N5O2/c22-15(19-20-16(23)13-10-17-7-8-18-13)11-21-9-3-5-12-4-1-2-6-14(12)21/h1-2,4,6-8,10H,3,5,9,11H2,(H,19,22)(H,20,23)
InChIKeyMKZAVIBKJQTKFY-UHFFFAOYSA-N
XLogP0.69
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]pyridine-3-carbohydrazide
CID 51109543
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-phenylacetohydrazide
CID 7923496
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-fluorobenzohydrazide
CID 2323657
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]naphthalene-1-carbohydrazide
CID 26853974
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-ethylbenzohydrazide
CID 26853955
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2H-benzotriazole-5-carbohydrazide
CID 24535853
1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-methylthiourea
CID 8659375
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 43070384
2-(3,4-dihydro-2H-quinolin-1-yl)acetohydrazide
CID 2327118
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide
CID 9076396
3-tert-butyl-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-1-methylpyrazole-5-carbohydrazide
CID 78894028
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hexanehydrazide
CID 38707921

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]pyrazine-2-carbohydrazide?
The IUPAC name of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]pyrazine-2-carbohydrazide (CID 27680928) is N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]pyrazine-2-carbohydrazide.
What is the SMILES notation for N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]pyrazine-2-carbohydrazide?
The canonical SMILES for N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]pyrazine-2-carbohydrazide is O=C(CN1CCCc2ccccc21)NNC(=O)c1cnccn1.
What is the InChIKey of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]pyrazine-2-carbohydrazide?
The InChIKey is MKZAVIBKJQTKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c22-15(19-20-16(23)13-10-17-7-8-18-13)11-21-9-3-5-12-4-1-2-6-14(12)21/h1-2,4,6-8,10H,3,5,9,11H2,(H,19,22)(H,20,23).
What are the key properties of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]pyrazine-2-carbohydrazide?
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]pyrazine-2-carbohydrazide has a molecular weight of 311.35 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]pyrazine-2-carbohydrazide is sourced from PubChem (CID 27680928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).