1-quinolin-6-ylethyl N-(1-methylpyrazol-4-yl)-N-(3-oxoprop-1-enyl)methanehydrazonate

C19H19N5O2 — CID 123497678

IUPAC1-quinolin-6-ylethyl N-(1-methylpyrazol-4-yl)-N-(3-oxoprop-1-enyl)methanehydrazonate
SMILESCC(OC=NN(C=CC=O)c1cnn(C)c1)c1ccc2ncccc2c1
InChIInChI=1S/C19H19N5O2/c1-15(16-6-7-19-17(11-16)5-3-8-20-19)26-14-22-24(9-4-10-25)18-12-21-23(2)13-18/h3-15H,1-2H3
InChIKeyZMJSJOLWAVSULR-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.21
Rot. Bonds7

About 1-quinolin-6-ylethyl N-(1-methylpyrazol-4-yl)-N-(3-oxoprop-1-enyl)methanehydrazonate

1-quinolin-6-ylethyl N-(1-methylpyrazol-4-yl)-N-(3-oxoprop-1-enyl)methanehydrazonate (PubChem CID 123497678) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-quinolin-6-ylethyl N-(1-methylpyrazol-4-yl)-N-(3-oxoprop-1-enyl)methanehydrazonate.

Molecular Properties

Compound Name1-quinolin-6-ylethyl N-(1-methylpyrazol-4-yl)-N-(3-oxoprop-1-enyl)methanehydrazonate
PubChem CID123497678
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name1-quinolin-6-ylethyl N-(1-methylpyrazol-4-yl)-N-(3-oxoprop-1-enyl)methanehydrazonate
SMILESCC(OC=NN(C=CC=O)c1cnn(C)c1)c1ccc2ncccc2c1
InChIInChI=1S/C19H19N5O2/c1-15(16-6-7-19-17(11-16)5-3-8-20-19)26-14-22-24(9-4-10-25)18-12-21-23(2)13-18/h3-15H,1-2H3
InChIKeyZMJSJOLWAVSULR-UHFFFAOYSA-N
XLogP3.21
TPSA72.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775
6-(1-nitrosoethyl)quinoline
CID 54028651
2-amino-2-(1-methylpyrazol-4-yl)-1-quinolin-6-ylethanone
CID 116604933
6-propan-2-ylquinoline;sulfur dioxide
CID 162251791
6-[(1S)-1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-3-yl]ethyl]quinoline
CID 140621756
1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-quinolin-6-ylmethanamine
CID 114651360
(1-methylcyclopentyl)-quinolin-6-ylmethanol
CID 115826798
6-[1-(3-fluoro-4-methoxyphenyl)ethyl]quinoline
CID 172878085
5-(1-methylpyrazol-4-yl)-3-[(1S)-1-quinolin-6-ylethyl]-6H-triazolo[4,5-d]pyrimidin-7-one
CID 135914993
3-methyl-2-quinolin-6-ylbutanoic acid
CID 81224451
2-quinolin-6-ylpropan-1-amine
CID 79002101
[(2S)-2-hydroxy-2-quinolin-6-ylethyl]azanium
CID 7016270

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-6-ylethyl N-(1-methylpyrazol-4-yl)-N-(3-oxoprop-1-enyl)methanehydrazonate?
The IUPAC name of 1-quinolin-6-ylethyl N-(1-methylpyrazol-4-yl)-N-(3-oxoprop-1-enyl)methanehydrazonate (CID 123497678) is 1-quinolin-6-ylethyl N-(1-methylpyrazol-4-yl)-N-(3-oxoprop-1-enyl)methanehydrazonate.
What is the SMILES notation for 1-quinolin-6-ylethyl N-(1-methylpyrazol-4-yl)-N-(3-oxoprop-1-enyl)methanehydrazonate?
The canonical SMILES for 1-quinolin-6-ylethyl N-(1-methylpyrazol-4-yl)-N-(3-oxoprop-1-enyl)methanehydrazonate is CC(OC=NN(C=CC=O)c1cnn(C)c1)c1ccc2ncccc2c1.
What is the InChIKey of 1-quinolin-6-ylethyl N-(1-methylpyrazol-4-yl)-N-(3-oxoprop-1-enyl)methanehydrazonate?
The InChIKey is ZMJSJOLWAVSULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-15(16-6-7-19-17(11-16)5-3-8-20-19)26-14-22-24(9-4-10-25)18-12-21-23(2)13-18/h3-15H,1-2H3.
What are the key properties of 1-quinolin-6-ylethyl N-(1-methylpyrazol-4-yl)-N-(3-oxoprop-1-enyl)methanehydrazonate?
1-quinolin-6-ylethyl N-(1-methylpyrazol-4-yl)-N-(3-oxoprop-1-enyl)methanehydrazonate has a molecular weight of 349.39 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-6-ylethyl N-(1-methylpyrazol-4-yl)-N-(3-oxoprop-1-enyl)methanehydrazonate is sourced from PubChem (CID 123497678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).