7-(cyclohexylamino)-1-ethyl-6-fluoro-4-oxoquinoline-3-carbohydrazide

C18H23FN4O2 — CID 718467

IUPAC7-(cyclohexylamino)-1-ethyl-6-fluoro-4-oxoquinoline-3-carbohydrazide
SMILESCCn1cc(C(=O)NN)c(=O)c2cc(F)c(NC3CCCCC3)cc21
InChIInChI=1S/C18H23FN4O2/c1-2-23-10-13(18(25)22-20)17(24)12-8-14(19)15(9-16(12)23)21-11-6-4-3-5-7-11/h8-11,21H,2-7,20H2,1H3,(H,22,25)
InChIKeySAZQIQDVONFJHO-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.51
Rot. Bonds4

About 7-(cyclohexylamino)-1-ethyl-6-fluoro-4-oxoquinoline-3-carbohydrazide

7-(cyclohexylamino)-1-ethyl-6-fluoro-4-oxoquinoline-3-carbohydrazide (PubChem CID 718467) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is 7-(cyclohexylamino)-1-ethyl-6-fluoro-4-oxoquinoline-3-carbohydrazide.

Molecular Properties

Compound Name7-(cyclohexylamino)-1-ethyl-6-fluoro-4-oxoquinoline-3-carbohydrazide
PubChem CID718467
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name7-(cyclohexylamino)-1-ethyl-6-fluoro-4-oxoquinoline-3-carbohydrazide
SMILESCCn1cc(C(=O)NN)c(=O)c2cc(F)c(NC3CCCCC3)cc21
InChIInChI=1S/C18H23FN4O2/c1-2-23-10-13(18(25)22-20)17(24)12-8-14(19)15(9-16(12)23)21-11-6-4-3-5-7-11/h8-11,21H,2-7,20H2,1H3,(H,22,25)
InChIKeySAZQIQDVONFJHO-UHFFFAOYSA-N
XLogP2.51
TPSA89.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 7-(cyclohexylamino)-1-ethyl-6-fluoro-4-oxoquinoline-3-carbohydrazide?
The IUPAC name of 7-(cyclohexylamino)-1-ethyl-6-fluoro-4-oxoquinoline-3-carbohydrazide (CID 718467) is 7-(cyclohexylamino)-1-ethyl-6-fluoro-4-oxoquinoline-3-carbohydrazide.
What is the SMILES notation for 7-(cyclohexylamino)-1-ethyl-6-fluoro-4-oxoquinoline-3-carbohydrazide?
The canonical SMILES for 7-(cyclohexylamino)-1-ethyl-6-fluoro-4-oxoquinoline-3-carbohydrazide is CCn1cc(C(=O)NN)c(=O)c2cc(F)c(NC3CCCCC3)cc21.
What is the InChIKey of 7-(cyclohexylamino)-1-ethyl-6-fluoro-4-oxoquinoline-3-carbohydrazide?
The InChIKey is SAZQIQDVONFJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-2-23-10-13(18(25)22-20)17(24)12-8-14(19)15(9-16(12)23)21-11-6-4-3-5-7-11/h8-11,21H,2-7,20H2,1H3,(H,22,25).
What are the key properties of 7-(cyclohexylamino)-1-ethyl-6-fluoro-4-oxoquinoline-3-carbohydrazide?
7-(cyclohexylamino)-1-ethyl-6-fluoro-4-oxoquinoline-3-carbohydrazide has a molecular weight of 346.41 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylamino)-1-ethyl-6-fluoro-4-oxoquinoline-3-carbohydrazide is sourced from PubChem (CID 718467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).