cyclopentanol;ethyl 4-amino-6-bromo-7-fluoroquinoline-3-carboxylate

C17H20BrFN2O3 — CID 144956365

IUPACcyclopentanol;ethyl 4-amino-6-bromo-7-fluoroquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(F)c(Br)cc2c1N.OC1CCCC1
InChIInChI=1S/C12H10BrFN2O2.C5H10O/c1-2-18-12(17)7-5-16-10-4-9(14)8(13)3-6(10)11(7)15;6-5-3-1-2-4-5/h3-5H,2H2,1H3,(H2,15,16);5-6H,1-4H2
InChIKeyRSSRNWLUVUVAOH-UHFFFAOYSA-N
MW399.26 g/mol
LogP3.82
Rot. Bonds2

About cyclopentanol;ethyl 4-amino-6-bromo-7-fluoroquinoline-3-carboxylate

cyclopentanol;ethyl 4-amino-6-bromo-7-fluoroquinoline-3-carboxylate (PubChem CID 144956365) has the molecular formula C17H20BrFN2O3 and a molecular weight of 399.26 g/mol. Its IUPAC name is cyclopentanol;ethyl 4-amino-6-bromo-7-fluoroquinoline-3-carboxylate.

Molecular Properties

Compound Namecyclopentanol;ethyl 4-amino-6-bromo-7-fluoroquinoline-3-carboxylate
PubChem CID144956365
Molecular FormulaC17H20BrFN2O3
Molecular Weight399.26 g/mol
Exact Mass398.06
IUPAC Namecyclopentanol;ethyl 4-amino-6-bromo-7-fluoroquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(F)c(Br)cc2c1N.OC1CCCC1
InChIInChI=1S/C12H10BrFN2O2.C5H10O/c1-2-18-12(17)7-5-16-10-4-9(14)8(13)3-6(10)11(7)15;6-5-3-1-2-4-5/h3-5H,2H2,1H3,(H2,15,16);5-6H,1-4H2
InChIKeyRSSRNWLUVUVAOH-UHFFFAOYSA-N
XLogP3.82
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.26
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-amino-6-chloro-7-fluoroquinoline-3-carboxylate
CID 103996712
diethyl 4-aminoquinoline-3,6-dicarboxylate
CID 17028175
ethyl 4-amino-7-chloroquinoline-3-carboxylate
CID 609428
ethyl 4-amino-6-fluoro-8-methylquinoline-3-carboxylate
CID 54773005
ethyl 5-bromo-2,4-difluorobenzoate
CID 79018456
ethyl 2,5-dibromo-4-fluorobenzoate
CID 79016537
ethyl 6-bromo-4-(cyclopropylamino)-7-(trifluoromethyl)quinoline-3-carboxylate
CID 151614277
ethyl 4-amino-6-propylquinoline-3-carboxylate
CID 55044912
ethyl 4-amino-6-[(4-chlorobenzoyl)amino]quinoline-3-carboxylate
CID 39851604
ethane;ethyl 4-aminoquinoline-3-carboxylate
CID 143157176
ethyl 4-chloro-7-fluoro-6-methoxyquinoline-3-carboxylate
CID 22136427
cyclohexanol;diethyl benzene-1,2-dicarboxylate
CID 157482409

Frequently Asked Questions

What is the IUPAC name of cyclopentanol;ethyl 4-amino-6-bromo-7-fluoroquinoline-3-carboxylate?
The IUPAC name of cyclopentanol;ethyl 4-amino-6-bromo-7-fluoroquinoline-3-carboxylate (CID 144956365) is cyclopentanol;ethyl 4-amino-6-bromo-7-fluoroquinoline-3-carboxylate.
What is the SMILES notation for cyclopentanol;ethyl 4-amino-6-bromo-7-fluoroquinoline-3-carboxylate?
The canonical SMILES for cyclopentanol;ethyl 4-amino-6-bromo-7-fluoroquinoline-3-carboxylate is CCOC(=O)c1cnc2cc(F)c(Br)cc2c1N.OC1CCCC1.
What is the InChIKey of cyclopentanol;ethyl 4-amino-6-bromo-7-fluoroquinoline-3-carboxylate?
The InChIKey is RSSRNWLUVUVAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O2.C5H10O/c1-2-18-12(17)7-5-16-10-4-9(14)8(13)3-6(10)11(7)15;6-5-3-1-2-4-5/h3-5H,2H2,1H3,(H2,15,16);5-6H,1-4H2.
What are the key properties of cyclopentanol;ethyl 4-amino-6-bromo-7-fluoroquinoline-3-carboxylate?
cyclopentanol;ethyl 4-amino-6-bromo-7-fluoroquinoline-3-carboxylate has a molecular weight of 399.26 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentanol;ethyl 4-amino-6-bromo-7-fluoroquinoline-3-carboxylate is sourced from PubChem (CID 144956365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).