ethyl 8-chloro-4-(ethylamino)-6-fluoroquinoline-3-carboxylate

C14H14ClFN2O2 — CID 63486784

IUPACethyl 8-chloro-4-(ethylamino)-6-fluoroquinoline-3-carboxylate
SMILESCCNc1c(C(=O)OCC)cnc2c(Cl)cc(F)cc12
InChIInChI=1S/C14H14ClFN2O2/c1-3-17-12-9-5-8(16)6-11(15)13(9)18-7-10(12)14(19)20-4-2/h5-7H,3-4H2,1-2H3,(H,17,18)
InChIKeyLAVRCFIXOZTFQC-UHFFFAOYSA-N
MW296.73 g/mol
LogP3.64
Rot. Bonds4

About ethyl 8-chloro-4-(ethylamino)-6-fluoroquinoline-3-carboxylate

ethyl 8-chloro-4-(ethylamino)-6-fluoroquinoline-3-carboxylate (PubChem CID 63486784) has the molecular formula C14H14ClFN2O2 and a molecular weight of 296.73 g/mol. Its IUPAC name is ethyl 8-chloro-4-(ethylamino)-6-fluoroquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-chloro-4-(ethylamino)-6-fluoroquinoline-3-carboxylate
PubChem CID63486784
Molecular FormulaC14H14ClFN2O2
Molecular Weight296.73 g/mol
Exact Mass296.07
IUPAC Nameethyl 8-chloro-4-(ethylamino)-6-fluoroquinoline-3-carboxylate
SMILESCCNc1c(C(=O)OCC)cnc2c(Cl)cc(F)cc12
InChIInChI=1S/C14H14ClFN2O2/c1-3-17-12-9-5-8(16)6-11(15)13(9)18-7-10(12)14(19)20-4-2/h5-7H,3-4H2,1-2H3,(H,17,18)
InChIKeyLAVRCFIXOZTFQC-UHFFFAOYSA-N
XLogP3.64
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.73
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 8-chloro-4-(ethylamino)-6-methylquinoline-3-carboxylate
CID 63486779
ethyl 6,8-difluoro-4-(propylamino)quinoline-3-carboxylate
CID 63486440
ethyl 4-(ethylamino)-5,6,8-trifluoroquinoline-3-carboxylate
CID 62809371
ethyl 5-chloro-4-(ethylamino)-8-methylquinoline-3-carboxylate
CID 63484840
ethyl 6-chloro-8-methyl-4-(propylamino)quinoline-3-carboxylate
CID 63486439
ethyl 5-bromo-8-chloro-4-(ethylamino)quinoline-3-carboxylate
CID 63486785
ethyl 6,8-dichloro-4-(furan-2-ylmethylamino)quinoline-3-carboxylate
CID 1189481
ethyl 8-bromo-6-chloro-4-(propylamino)quinoline-3-carboxylate
CID 81256553
ethyl 6-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate
CID 2791591
ethyl 4-amino-6-fluoro-8-methylquinoline-3-carboxylate
CID 54773005
ethyl 6,8-difluoro-4-(3-methylanilino)quinoline-3-carboxylate
CID 23239653
ethyl 4-(2,2-difluoroethylamino)-6-fluoroquinoline-3-carboxylate
CID 133368454

Frequently Asked Questions

What is the IUPAC name of ethyl 8-chloro-4-(ethylamino)-6-fluoroquinoline-3-carboxylate?
The IUPAC name of ethyl 8-chloro-4-(ethylamino)-6-fluoroquinoline-3-carboxylate (CID 63486784) is ethyl 8-chloro-4-(ethylamino)-6-fluoroquinoline-3-carboxylate.
What is the SMILES notation for ethyl 8-chloro-4-(ethylamino)-6-fluoroquinoline-3-carboxylate?
The canonical SMILES for ethyl 8-chloro-4-(ethylamino)-6-fluoroquinoline-3-carboxylate is CCNc1c(C(=O)OCC)cnc2c(Cl)cc(F)cc12.
What is the InChIKey of ethyl 8-chloro-4-(ethylamino)-6-fluoroquinoline-3-carboxylate?
The InChIKey is LAVRCFIXOZTFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2/c1-3-17-12-9-5-8(16)6-11(15)13(9)18-7-10(12)14(19)20-4-2/h5-7H,3-4H2,1-2H3,(H,17,18).
What are the key properties of ethyl 8-chloro-4-(ethylamino)-6-fluoroquinoline-3-carboxylate?
ethyl 8-chloro-4-(ethylamino)-6-fluoroquinoline-3-carboxylate has a molecular weight of 296.73 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-chloro-4-(ethylamino)-6-fluoroquinoline-3-carboxylate is sourced from PubChem (CID 63486784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).