methyl 4-(2-chloroethoxy)-6-fluoroquinoline-2-carboxylate

C13H11ClFNO3 — CID 11482982

IUPACmethyl 4-(2-chloroethoxy)-6-fluoroquinoline-2-carboxylate
SMILESCOC(=O)c1cc(OCCCl)c2cc(F)ccc2n1
InChIInChI=1S/C13H11ClFNO3/c1-18-13(17)11-7-12(19-5-4-14)9-6-8(15)2-3-10(9)16-11/h2-3,6-7H,4-5H2,1H3
InChIKeyOUNDPYNVMROWDF-UHFFFAOYSA-N
MW283.69 g/mol
LogP2.78
Rot. Bonds4

About methyl 4-(2-chloroethoxy)-6-fluoroquinoline-2-carboxylate

methyl 4-(2-chloroethoxy)-6-fluoroquinoline-2-carboxylate (PubChem CID 11482982) has the molecular formula C13H11ClFNO3 and a molecular weight of 283.69 g/mol. Its IUPAC name is methyl 4-(2-chloroethoxy)-6-fluoroquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-chloroethoxy)-6-fluoroquinoline-2-carboxylate
PubChem CID11482982
Molecular FormulaC13H11ClFNO3
Molecular Weight283.69 g/mol
Exact Mass283.04
IUPAC Namemethyl 4-(2-chloroethoxy)-6-fluoroquinoline-2-carboxylate
SMILESCOC(=O)c1cc(OCCCl)c2cc(F)ccc2n1
InChIInChI=1S/C13H11ClFNO3/c1-18-13(17)11-7-12(19-5-4-14)9-6-8(15)2-3-10(9)16-11/h2-3,6-7H,4-5H2,1H3
InChIKeyOUNDPYNVMROWDF-UHFFFAOYSA-N
XLogP2.78
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.69
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

methyl 6-fluoro-4-(3-phenoxypropoxy)quinoline-2-carboxylate
CID 11462395
methyl 4-[2-(4-bromophenoxy)ethoxy]-6-fluoroquinoline-2-carboxylate
CID 11281563
methyl 4-[(2-chlorophenyl)methoxy]-6-fluoroquinoline-2-carboxylate
CID 53113123
methyl 4-[2-(2,6-dimethylanilino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate
CID 53113099
6-fluoro-4-pentoxyquinoline-2-carboxylic acid
CID 11391767
methyl 4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate
CID 53113086
methyl 4-[(2-chloro-4-fluorophenyl)methoxy]quinoline-2-carboxylate
CID 53112967
methyl 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate
CID 53113121
methyl 4-ethoxy-6-methylquinoline-2-carboxylate
CID 102941885
6-fluoro-4-(2-phenylethoxy)quinoline-2-carboxylic acid
CID 11483742
methyl 4-ethoxy-6,7-difluoroquinoline-2-carboxylate
CID 102941956
methyl 6-fluoro-4-(2-methoxyanilino)quinoline-2-carboxylate
CID 53113277

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-chloroethoxy)-6-fluoroquinoline-2-carboxylate?
The IUPAC name of methyl 4-(2-chloroethoxy)-6-fluoroquinoline-2-carboxylate (CID 11482982) is methyl 4-(2-chloroethoxy)-6-fluoroquinoline-2-carboxylate.
What is the SMILES notation for methyl 4-(2-chloroethoxy)-6-fluoroquinoline-2-carboxylate?
The canonical SMILES for methyl 4-(2-chloroethoxy)-6-fluoroquinoline-2-carboxylate is COC(=O)c1cc(OCCCl)c2cc(F)ccc2n1.
What is the InChIKey of methyl 4-(2-chloroethoxy)-6-fluoroquinoline-2-carboxylate?
The InChIKey is OUNDPYNVMROWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO3/c1-18-13(17)11-7-12(19-5-4-14)9-6-8(15)2-3-10(9)16-11/h2-3,6-7H,4-5H2,1H3.
What are the key properties of methyl 4-(2-chloroethoxy)-6-fluoroquinoline-2-carboxylate?
methyl 4-(2-chloroethoxy)-6-fluoroquinoline-2-carboxylate has a molecular weight of 283.69 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-chloroethoxy)-6-fluoroquinoline-2-carboxylate is sourced from PubChem (CID 11482982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).