6-fluoro-1-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carbohydrazide

C18H16FN3O2 — CID 97032790

IUPAC6-fluoro-1-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carbohydrazide
SMILESCc1ccc(Cn2cc(C(=O)NN)c(=O)c3cc(F)ccc32)cc1
InChIInChI=1S/C18H16FN3O2/c1-11-2-4-12(5-3-11)9-22-10-15(18(24)21-20)17(23)14-8-13(19)6-7-16(14)22/h2-8,10H,9,20H2,1H3,(H,21,24)
InChIKeyLVOKEXIUBRJTKU-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.10
Rot. Bonds3

About 6-fluoro-1-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carbohydrazide

6-fluoro-1-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carbohydrazide (PubChem CID 97032790) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 6-fluoro-1-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carbohydrazide.

Molecular Properties

Compound Name6-fluoro-1-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carbohydrazide
PubChem CID97032790
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name6-fluoro-1-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carbohydrazide
SMILESCc1ccc(Cn2cc(C(=O)NN)c(=O)c3cc(F)ccc32)cc1
InChIInChI=1S/C18H16FN3O2/c1-11-2-4-12(5-3-11)9-22-10-15(18(24)21-20)17(23)14-8-13(19)6-7-16(14)22/h2-8,10H,9,20H2,1H3,(H,21,24)
InChIKeyLVOKEXIUBRJTKU-UHFFFAOYSA-N
XLogP2.10
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carbohydrazide?
The IUPAC name of 6-fluoro-1-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carbohydrazide (CID 97032790) is 6-fluoro-1-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carbohydrazide.
What is the SMILES notation for 6-fluoro-1-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carbohydrazide?
The canonical SMILES for 6-fluoro-1-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carbohydrazide is Cc1ccc(Cn2cc(C(=O)NN)c(=O)c3cc(F)ccc32)cc1.
What is the InChIKey of 6-fluoro-1-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carbohydrazide?
The InChIKey is LVOKEXIUBRJTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-11-2-4-12(5-3-11)9-22-10-15(18(24)21-20)17(23)14-8-13(19)6-7-16(14)22/h2-8,10H,9,20H2,1H3,(H,21,24).
What are the key properties of 6-fluoro-1-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carbohydrazide?
6-fluoro-1-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carbohydrazide has a molecular weight of 325.34 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carbohydrazide is sourced from PubChem (CID 97032790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).