methyl 5-chloro-8-fluoro-4-(methylamino)quinoline-3-carboxylate

C12H10ClFN2O2 — CID 102614784

IUPACmethyl 5-chloro-8-fluoro-4-(methylamino)quinoline-3-carboxylate
SMILESCNc1c(C(=O)OC)cnc2c(F)ccc(Cl)c12
InChIInChI=1S/C12H10ClFN2O2/c1-15-10-6(12(17)18-2)5-16-11-8(14)4-3-7(13)9(10)11/h3-5H,1-2H3,(H,15,16)
InChIKeyQBYWXZHNBGVHIO-UHFFFAOYSA-N
MW268.68 g/mol
LogP2.86
Rot. Bonds2

About methyl 5-chloro-8-fluoro-4-(methylamino)quinoline-3-carboxylate

methyl 5-chloro-8-fluoro-4-(methylamino)quinoline-3-carboxylate (PubChem CID 102614784) has the molecular formula C12H10ClFN2O2 and a molecular weight of 268.68 g/mol. Its IUPAC name is methyl 5-chloro-8-fluoro-4-(methylamino)quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-8-fluoro-4-(methylamino)quinoline-3-carboxylate
PubChem CID102614784
Molecular FormulaC12H10ClFN2O2
Molecular Weight268.68 g/mol
Exact Mass268.04
IUPAC Namemethyl 5-chloro-8-fluoro-4-(methylamino)quinoline-3-carboxylate
SMILESCNc1c(C(=O)OC)cnc2c(F)ccc(Cl)c12
InChIInChI=1S/C12H10ClFN2O2/c1-15-10-6(12(17)18-2)5-16-11-8(14)4-3-7(13)9(10)11/h3-5H,1-2H3,(H,15,16)
InChIKeyQBYWXZHNBGVHIO-UHFFFAOYSA-N
XLogP2.86
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.68
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-bromo-5-chloro-8-fluoroquinoline-3-carboxylate
CID 102614363
methyl 4,8-dichloro-5-fluoroquinoline-3-carboxylate
CID 107528768
methyl 5,8-difluoro-6-methyl-4-(methylamino)quinoline-3-carboxylate
CID 103587309
methyl 4,5,8-trichloroquinoline-3-carboxylate
CID 102614359
methyl 8-bromo-4-chloro-5-fluoroquinoline-3-carboxylate
CID 107627758
methyl 6-bromo-5-fluoro-8-methyl-4-(methylamino)quinoline-3-carboxylate
CID 102614924
ethyl 8-chloro-5-methoxy-4-(methylamino)quinoline-3-carboxylate
CID 62191865
methyl 4,7,8-trichloroquinoline-3-carboxylate
CID 102614405
methyl 4-chloro-5,6,7-trifluoroquinoline-3-carboxylate
CID 102614483
methyl 8-bromo-4-(methylamino)quinoline-3-carboxylate
CID 102614849
ethyl 5,6,8-trifluoro-4-(methylamino)quinoline-3-carboxylate
CID 62809200
methyl 4,8-dibromo-5-fluoroquinoline-3-carboxylate
CID 107627760

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-8-fluoro-4-(methylamino)quinoline-3-carboxylate?
The IUPAC name of methyl 5-chloro-8-fluoro-4-(methylamino)quinoline-3-carboxylate (CID 102614784) is methyl 5-chloro-8-fluoro-4-(methylamino)quinoline-3-carboxylate.
What is the SMILES notation for methyl 5-chloro-8-fluoro-4-(methylamino)quinoline-3-carboxylate?
The canonical SMILES for methyl 5-chloro-8-fluoro-4-(methylamino)quinoline-3-carboxylate is CNc1c(C(=O)OC)cnc2c(F)ccc(Cl)c12.
What is the InChIKey of methyl 5-chloro-8-fluoro-4-(methylamino)quinoline-3-carboxylate?
The InChIKey is QBYWXZHNBGVHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O2/c1-15-10-6(12(17)18-2)5-16-11-8(14)4-3-7(13)9(10)11/h3-5H,1-2H3,(H,15,16).
What are the key properties of methyl 5-chloro-8-fluoro-4-(methylamino)quinoline-3-carboxylate?
methyl 5-chloro-8-fluoro-4-(methylamino)quinoline-3-carboxylate has a molecular weight of 268.68 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-8-fluoro-4-(methylamino)quinoline-3-carboxylate is sourced from PubChem (CID 102614784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).