3-[(E)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-6-methylchromen-4-one

C15H11ClN4O2 — CID 162625209

IUPAC3-[(E)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-6-methylchromen-4-one
SMILESCc1ccc2occ(/C=N/Nc3nccnc3Cl)c(=O)c2c1
InChIInChI=1S/C15H11ClN4O2/c1-9-2-3-12-11(6-9)13(21)10(8-22-12)7-19-20-15-14(16)17-4-5-18-15/h2-8H,1H3,(H,18,20)/b19-7+
InChIKeySANOWFUQWCSPIB-FBCYGCLPSA-N
MW314.73 g/mol
LogP2.99
Rot. Bonds3

About 3-[(E)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-6-methylchromen-4-one

3-[(E)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-6-methylchromen-4-one (PubChem CID 162625209) has the molecular formula C15H11ClN4O2 and a molecular weight of 314.73 g/mol. Its IUPAC name is 3-[(E)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-6-methylchromen-4-one.

Molecular Properties

Compound Name3-[(E)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-6-methylchromen-4-one
PubChem CID162625209
Molecular FormulaC15H11ClN4O2
Molecular Weight314.73 g/mol
Exact Mass314.06
IUPAC Name3-[(E)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-6-methylchromen-4-one
SMILESCc1ccc2occ(/C=N/Nc3nccnc3Cl)c(=O)c2c1
InChIInChI=1S/C15H11ClN4O2/c1-9-2-3-12-11(6-9)13(21)10(8-22-12)7-19-20-15-14(16)17-4-5-18-15/h2-8H,1H3,(H,18,20)/b19-7+
InChIKeySANOWFUQWCSPIB-FBCYGCLPSA-N
XLogP2.99
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(2Z)-2-[(6-methyl-4-oxochromen-3-yl)methylidene]hydrazinyl]-2-propan-2-yl-1,3-oxazole-4-carbonitrile
CID 6129832
4-methyl-N-[(Z)-(6-methyl-4-oxochromen-3-yl)methylideneamino]thiadiazole-5-carboxamide
CID 44724851
3,5-dihydroxy-N-[(Z)-(6-methyl-4-oxochromen-3-yl)methylideneamino]benzamide
CID 6011150
(NE)-4-methyl-N-[(6-methyl-4-oxochromen-3-yl)methylidene]benzenesulfonamide
CID 139223658
zinc;bis(4-[(6-methyl-4-oxochromen-3-yl)methylideneamino]benzenesulfonamide);dihydrochloride
CID 73346691
[1-[2-[(6-methyl-4-oxochromen-3-yl)methylidene]hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]azanium
CID 4920719
(E)-N-(3-chloro-4-methylphenyl)-3-(6-methyl-4-oxochromen-3-yl)prop-2-enamide
CID 108792892
2-[[(E)-3-(6-methyl-4-oxochromen-3-yl)prop-2-enoyl]amino]acetic acid
CID 108792937
3-[2-(4-chlorophenyl)sulfonylethenyl]-6-methylchromen-4-one
CID 90702426
4-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 136831564
N-[(Z)-(6-chloro-4-oxochromen-3-yl)methylideneamino]pyridine-4-carboxamide
CID 6256828
[(E)-(6-chloro-4-oxochromen-3-yl)methylideneamino]urea
CID 6887527

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-6-methylchromen-4-one?
The IUPAC name of 3-[(E)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-6-methylchromen-4-one (CID 162625209) is 3-[(E)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-6-methylchromen-4-one.
What is the SMILES notation for 3-[(E)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-6-methylchromen-4-one?
The canonical SMILES for 3-[(E)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-6-methylchromen-4-one is Cc1ccc2occ(/C=N/Nc3nccnc3Cl)c(=O)c2c1.
What is the InChIKey of 3-[(E)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-6-methylchromen-4-one?
The InChIKey is SANOWFUQWCSPIB-FBCYGCLPSA-N. The full InChI is InChI=1S/C15H11ClN4O2/c1-9-2-3-12-11(6-9)13(21)10(8-22-12)7-19-20-15-14(16)17-4-5-18-15/h2-8H,1H3,(H,18,20)/b19-7+.
What are the key properties of 3-[(E)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-6-methylchromen-4-one?
3-[(E)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-6-methylchromen-4-one has a molecular weight of 314.73 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-6-methylchromen-4-one is sourced from PubChem (CID 162625209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).