ethyl 4-amino-6-chloro-7-fluoroquinoline-3-carboxylate

C12H10ClFN2O2 — CID 103996712

IUPACethyl 4-amino-6-chloro-7-fluoroquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(F)c(Cl)cc2c1N
InChIInChI=1S/C12H10ClFN2O2/c1-2-18-12(17)7-5-16-10-4-9(14)8(13)3-6(10)11(7)15/h3-5H,2H2,1H3,(H2,15,16)
InChIKeyPCKIOUFNQZXFBX-UHFFFAOYSA-N
MW268.68 g/mol
LogP2.79
Rot. Bonds2

About ethyl 4-amino-6-chloro-7-fluoroquinoline-3-carboxylate

ethyl 4-amino-6-chloro-7-fluoroquinoline-3-carboxylate (PubChem CID 103996712) has the molecular formula C12H10ClFN2O2 and a molecular weight of 268.68 g/mol. Its IUPAC name is ethyl 4-amino-6-chloro-7-fluoroquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-6-chloro-7-fluoroquinoline-3-carboxylate
PubChem CID103996712
Molecular FormulaC12H10ClFN2O2
Molecular Weight268.68 g/mol
Exact Mass268.04
IUPAC Nameethyl 4-amino-6-chloro-7-fluoroquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(F)c(Cl)cc2c1N
InChIInChI=1S/C12H10ClFN2O2/c1-2-18-12(17)7-5-16-10-4-9(14)8(13)3-6(10)11(7)15/h3-5H,2H2,1H3,(H2,15,16)
InChIKeyPCKIOUFNQZXFBX-UHFFFAOYSA-N
XLogP2.79
TPSA65.21 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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-amino-7-chloroquinoline-3-carboxylate
CID 609428
diethyl 4-aminoquinoline-3,6-dicarboxylate
CID 17028175
cyclopentanol;ethyl 4-amino-6-bromo-7-fluoroquinoline-3-carboxylate
CID 144956365
ethyl 4-chloro-7-fluoro-6-methoxyquinoline-3-carboxylate
CID 22136427
ethyl 4,6-dichloro-7-(trifluoromethyl)quinoline-3-carboxylate
CID 66487307
methyl 4-amino-7-chloro-6-methylquinoline-3-carboxylate
CID 102614920
ethyl 4-amino-6-[(4-chlorobenzoyl)amino]quinoline-3-carboxylate
CID 39851604
ethyl 4-amino-6-propylquinoline-3-carboxylate
CID 55044912
ethane;ethyl 4-aminoquinoline-3-carboxylate
CID 143157176
ethyl 4-amino-6-fluoro-8-methylquinoline-3-carboxylate
CID 54773005
ethyl 4-chloro-7-hydroxyquinoline-3-carboxylate
CID 135735505
ethyl 6-chloro-4-hydrazinyl-7-methoxyquinoline-3-carboxylate
CID 107623171

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-6-chloro-7-fluoroquinoline-3-carboxylate?
The IUPAC name of ethyl 4-amino-6-chloro-7-fluoroquinoline-3-carboxylate (CID 103996712) is ethyl 4-amino-6-chloro-7-fluoroquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-6-chloro-7-fluoroquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-amino-6-chloro-7-fluoroquinoline-3-carboxylate is CCOC(=O)c1cnc2cc(F)c(Cl)cc2c1N.
What is the InChIKey of ethyl 4-amino-6-chloro-7-fluoroquinoline-3-carboxylate?
The InChIKey is PCKIOUFNQZXFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O2/c1-2-18-12(17)7-5-16-10-4-9(14)8(13)3-6(10)11(7)15/h3-5H,2H2,1H3,(H2,15,16).
What are the key properties of ethyl 4-amino-6-chloro-7-fluoroquinoline-3-carboxylate?
ethyl 4-amino-6-chloro-7-fluoroquinoline-3-carboxylate has a molecular weight of 268.68 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-6-chloro-7-fluoroquinoline-3-carboxylate is sourced from PubChem (CID 103996712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).