7-methoxy-4-(2-methyl-2-pyrazin-2-ylhydrazinyl)quinoline-3-carbaldehyde

C16H15N5O2 — CID 155363215

IUPAC7-methoxy-4-(2-methyl-2-pyrazin-2-ylhydrazinyl)quinoline-3-carbaldehyde
SMILESCOc1ccc2c(NN(C)c3cnccn3)c(C=O)cnc2c1
InChIInChI=1S/C16H15N5O2/c1-21(15-9-17-5-6-18-15)20-16-11(10-22)8-19-14-7-12(23-2)3-4-13(14)16/h3-10H,1-2H3,(H,19,20)
InChIKeyUNHAQGBROGUNSX-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.31
Rot. Bonds5

About 7-methoxy-4-(2-methyl-2-pyrazin-2-ylhydrazinyl)quinoline-3-carbaldehyde

7-methoxy-4-(2-methyl-2-pyrazin-2-ylhydrazinyl)quinoline-3-carbaldehyde (PubChem CID 155363215) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 7-methoxy-4-(2-methyl-2-pyrazin-2-ylhydrazinyl)quinoline-3-carbaldehyde.

Molecular Properties

Compound Name7-methoxy-4-(2-methyl-2-pyrazin-2-ylhydrazinyl)quinoline-3-carbaldehyde
PubChem CID155363215
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name7-methoxy-4-(2-methyl-2-pyrazin-2-ylhydrazinyl)quinoline-3-carbaldehyde
SMILESCOc1ccc2c(NN(C)c3cnccn3)c(C=O)cnc2c1
InChIInChI=1S/C16H15N5O2/c1-21(15-9-17-5-6-18-15)20-16-11(10-22)8-19-14-7-12(23-2)3-4-13(14)16/h3-10H,1-2H3,(H,19,20)
InChIKeyUNHAQGBROGUNSX-UHFFFAOYSA-N
XLogP2.31
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-pyrazin-2-ylbenzaldehyde
CID 22216617
7-methoxyquinazoline-4-carbaldehyde
CID 105442986
4,5-dimethoxy-2-pyrazin-2-ylbenzaldehyde
CID 63970246
4,7-dimethoxyquinoline
CID 20743716
2-[(E)-2-(2-ethyl-4-methoxyphenyl)ethenyl]pyrazine
CID 167858045
N,N-bis[(4-methoxyphenyl)methyl]pyrazin-2-amine
CID 175520241
2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxybenzaldehyde
CID 23078274
7-methoxy-4-pyridin-3-yloxyquinoline
CID 154308048
1-(5-methoxy-2-pyrazin-2-ylphenyl)-N-methylmethanamine
CID 114077969
2-(fluoromethyl)-4-methoxybenzaldehyde
CID 141044211
2-[3-(dimethylamino)propoxy]-4-methoxybenzaldehyde
CID 22684190
7-methoxy-2-methylquinazoline-4-carbaldehyde
CID 105454201

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-(2-methyl-2-pyrazin-2-ylhydrazinyl)quinoline-3-carbaldehyde?
The IUPAC name of 7-methoxy-4-(2-methyl-2-pyrazin-2-ylhydrazinyl)quinoline-3-carbaldehyde (CID 155363215) is 7-methoxy-4-(2-methyl-2-pyrazin-2-ylhydrazinyl)quinoline-3-carbaldehyde.
What is the SMILES notation for 7-methoxy-4-(2-methyl-2-pyrazin-2-ylhydrazinyl)quinoline-3-carbaldehyde?
The canonical SMILES for 7-methoxy-4-(2-methyl-2-pyrazin-2-ylhydrazinyl)quinoline-3-carbaldehyde is COc1ccc2c(NN(C)c3cnccn3)c(C=O)cnc2c1.
What is the InChIKey of 7-methoxy-4-(2-methyl-2-pyrazin-2-ylhydrazinyl)quinoline-3-carbaldehyde?
The InChIKey is UNHAQGBROGUNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-21(15-9-17-5-6-18-15)20-16-11(10-22)8-19-14-7-12(23-2)3-4-13(14)16/h3-10H,1-2H3,(H,19,20).
What are the key properties of 7-methoxy-4-(2-methyl-2-pyrazin-2-ylhydrazinyl)quinoline-3-carbaldehyde?
7-methoxy-4-(2-methyl-2-pyrazin-2-ylhydrazinyl)quinoline-3-carbaldehyde has a molecular weight of 309.33 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-(2-methyl-2-pyrazin-2-ylhydrazinyl)quinoline-3-carbaldehyde is sourced from PubChem (CID 155363215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).