methyl 4-[2-(cyclohexylamino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate

C19H21FN2O4 — CID 53113080

IUPACmethyl 4-[2-(cyclohexylamino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate
SMILESCOC(=O)c1cc(OCC(=O)NC2CCCCC2)c2cc(F)ccc2n1
InChIInChI=1S/C19H21FN2O4/c1-25-19(24)16-10-17(14-9-12(20)7-8-15(14)22-16)26-11-18(23)21-13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,21,23)
InChIKeyPWYQRLSKSXPSOL-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.99
Rot. Bonds5

About methyl 4-[2-(cyclohexylamino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate

methyl 4-[2-(cyclohexylamino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate (PubChem CID 53113080) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is methyl 4-[2-(cyclohexylamino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(cyclohexylamino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate
PubChem CID53113080
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC Namemethyl 4-[2-(cyclohexylamino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate
SMILESCOC(=O)c1cc(OCC(=O)NC2CCCCC2)c2cc(F)ccc2n1
InChIInChI=1S/C19H21FN2O4/c1-25-19(24)16-10-17(14-9-12(20)7-8-15(14)22-16)26-11-18(23)21-13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,21,23)
InChIKeyPWYQRLSKSXPSOL-UHFFFAOYSA-N
XLogP2.99
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(cyclohexylamino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate?
The IUPAC name of methyl 4-[2-(cyclohexylamino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate (CID 53113080) is methyl 4-[2-(cyclohexylamino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate.
What is the SMILES notation for methyl 4-[2-(cyclohexylamino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate?
The canonical SMILES for methyl 4-[2-(cyclohexylamino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate is COC(=O)c1cc(OCC(=O)NC2CCCCC2)c2cc(F)ccc2n1.
What is the InChIKey of methyl 4-[2-(cyclohexylamino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate?
The InChIKey is PWYQRLSKSXPSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-25-19(24)16-10-17(14-9-12(20)7-8-15(14)22-16)26-11-18(23)21-13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,21,23).
What are the key properties of methyl 4-[2-(cyclohexylamino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate?
methyl 4-[2-(cyclohexylamino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate has a molecular weight of 360.39 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(cyclohexylamino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate is sourced from PubChem (CID 53113080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).