1-ethyl-6-fluoro-7-morpholin-4-yl-4-oxoquinoline-3-carbohydrazide

C16H19FN4O3 — CID 627579

IUPAC1-ethyl-6-fluoro-7-morpholin-4-yl-4-oxoquinoline-3-carbohydrazide
SMILESCCn1cc(C(=O)NN)c(=O)c2cc(F)c(N3CCOCC3)cc21
InChIInChI=1S/C16H19FN4O3/c1-2-20-9-11(16(23)19-18)15(22)10-7-12(17)14(8-13(10)20)21-3-5-24-6-4-21/h7-9H,2-6,18H2,1H3,(H,19,23)
InChIKeyDIPSEAFNDRHTHL-UHFFFAOYSA-N
MW334.35 g/mol
LogP0.60
Rot. Bonds3

About 1-ethyl-6-fluoro-7-morpholin-4-yl-4-oxoquinoline-3-carbohydrazide

1-ethyl-6-fluoro-7-morpholin-4-yl-4-oxoquinoline-3-carbohydrazide (PubChem CID 627579) has the molecular formula C16H19FN4O3 and a molecular weight of 334.35 g/mol. Its IUPAC name is 1-ethyl-6-fluoro-7-morpholin-4-yl-4-oxoquinoline-3-carbohydrazide.

Molecular Properties

Compound Name1-ethyl-6-fluoro-7-morpholin-4-yl-4-oxoquinoline-3-carbohydrazide
PubChem CID627579
Molecular FormulaC16H19FN4O3
Molecular Weight334.35 g/mol
Exact Mass334.14
IUPAC Name1-ethyl-6-fluoro-7-morpholin-4-yl-4-oxoquinoline-3-carbohydrazide
SMILESCCn1cc(C(=O)NN)c(=O)c2cc(F)c(N3CCOCC3)cc21
InChIInChI=1S/C16H19FN4O3/c1-2-20-9-11(16(23)19-18)15(22)10-7-12(17)14(8-13(10)20)21-3-5-24-6-4-21/h7-9H,2-6,18H2,1H3,(H,19,23)
InChIKeyDIPSEAFNDRHTHL-UHFFFAOYSA-N
XLogP0.60
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 1-ethyl-6-fluoro-7-morpholin-4-yl-4-oxoquinoline-3-carbohydrazide?
The IUPAC name of 1-ethyl-6-fluoro-7-morpholin-4-yl-4-oxoquinoline-3-carbohydrazide (CID 627579) is 1-ethyl-6-fluoro-7-morpholin-4-yl-4-oxoquinoline-3-carbohydrazide.
What is the SMILES notation for 1-ethyl-6-fluoro-7-morpholin-4-yl-4-oxoquinoline-3-carbohydrazide?
The canonical SMILES for 1-ethyl-6-fluoro-7-morpholin-4-yl-4-oxoquinoline-3-carbohydrazide is CCn1cc(C(=O)NN)c(=O)c2cc(F)c(N3CCOCC3)cc21.
What is the InChIKey of 1-ethyl-6-fluoro-7-morpholin-4-yl-4-oxoquinoline-3-carbohydrazide?
The InChIKey is DIPSEAFNDRHTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O3/c1-2-20-9-11(16(23)19-18)15(22)10-7-12(17)14(8-13(10)20)21-3-5-24-6-4-21/h7-9H,2-6,18H2,1H3,(H,19,23).
What are the key properties of 1-ethyl-6-fluoro-7-morpholin-4-yl-4-oxoquinoline-3-carbohydrazide?
1-ethyl-6-fluoro-7-morpholin-4-yl-4-oxoquinoline-3-carbohydrazide has a molecular weight of 334.35 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-fluoro-7-morpholin-4-yl-4-oxoquinoline-3-carbohydrazide is sourced from PubChem (CID 627579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).