methyl 4-(cyclohexylamino)-7-fluoro-2-oxo-1H-quinoline-3-carboxylate

C17H19FN2O3 — CID 97032569

IUPACmethyl 4-(cyclohexylamino)-7-fluoro-2-oxo-1H-quinoline-3-carboxylate
SMILESCOC(=O)c1c(NC2CCCCC2)c2ccc(F)cc2[nH]c1=O
InChIInChI=1S/C17H19FN2O3/c1-23-17(22)14-15(19-11-5-3-2-4-6-11)12-8-7-10(18)9-13(12)20-16(14)21/h7-9,11H,2-6H2,1H3,(H2,19,20,21)
InChIKeyMKILAKOPGTYADE-UHFFFAOYSA-N
MW318.35 g/mol
LogP3.20
Rot. Bonds3

About methyl 4-(cyclohexylamino)-7-fluoro-2-oxo-1H-quinoline-3-carboxylate

methyl 4-(cyclohexylamino)-7-fluoro-2-oxo-1H-quinoline-3-carboxylate (PubChem CID 97032569) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is methyl 4-(cyclohexylamino)-7-fluoro-2-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(cyclohexylamino)-7-fluoro-2-oxo-1H-quinoline-3-carboxylate
PubChem CID97032569
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Namemethyl 4-(cyclohexylamino)-7-fluoro-2-oxo-1H-quinoline-3-carboxylate
SMILESCOC(=O)c1c(NC2CCCCC2)c2ccc(F)cc2[nH]c1=O
InChIInChI=1S/C17H19FN2O3/c1-23-17(22)14-15(19-11-5-3-2-4-6-11)12-8-7-10(18)9-13(12)20-16(14)21/h7-9,11H,2-6H2,1H3,(H2,19,20,21)
InChIKeyMKILAKOPGTYADE-UHFFFAOYSA-N
XLogP3.20
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(cyclohexylamino)-7-fluoro-2-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of methyl 4-(cyclohexylamino)-7-fluoro-2-oxo-1H-quinoline-3-carboxylate (CID 97032569) is methyl 4-(cyclohexylamino)-7-fluoro-2-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for methyl 4-(cyclohexylamino)-7-fluoro-2-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for methyl 4-(cyclohexylamino)-7-fluoro-2-oxo-1H-quinoline-3-carboxylate is COC(=O)c1c(NC2CCCCC2)c2ccc(F)cc2[nH]c1=O.
What is the InChIKey of methyl 4-(cyclohexylamino)-7-fluoro-2-oxo-1H-quinoline-3-carboxylate?
The InChIKey is MKILAKOPGTYADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3/c1-23-17(22)14-15(19-11-5-3-2-4-6-11)12-8-7-10(18)9-13(12)20-16(14)21/h7-9,11H,2-6H2,1H3,(H2,19,20,21).
What are the key properties of methyl 4-(cyclohexylamino)-7-fluoro-2-oxo-1H-quinoline-3-carboxylate?
methyl 4-(cyclohexylamino)-7-fluoro-2-oxo-1H-quinoline-3-carboxylate has a molecular weight of 318.35 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(cyclohexylamino)-7-fluoro-2-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 97032569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).