ethyl 8-bromo-6-chloro-4-(propylamino)quinoline-3-carboxylate

C15H16BrClN2O2 — CID 81256553

IUPACethyl 8-bromo-6-chloro-4-(propylamino)quinoline-3-carboxylate
SMILESCCCNc1c(C(=O)OCC)cnc2c(Br)cc(Cl)cc12
InChIInChI=1S/C15H16BrClN2O2/c1-3-5-18-13-10-6-9(17)7-12(16)14(10)19-8-11(13)15(20)21-4-2/h6-8H,3-5H2,1-2H3,(H,18,19)
InChIKeyCONKQUNKYSKPEP-UHFFFAOYSA-N
MW371.66 g/mol
LogP4.65
Rot. Bonds5

About ethyl 8-bromo-6-chloro-4-(propylamino)quinoline-3-carboxylate

ethyl 8-bromo-6-chloro-4-(propylamino)quinoline-3-carboxylate (PubChem CID 81256553) has the molecular formula C15H16BrClN2O2 and a molecular weight of 371.66 g/mol. Its IUPAC name is ethyl 8-bromo-6-chloro-4-(propylamino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-bromo-6-chloro-4-(propylamino)quinoline-3-carboxylate
PubChem CID81256553
Molecular FormulaC15H16BrClN2O2
Molecular Weight371.66 g/mol
Exact Mass370.01
IUPAC Nameethyl 8-bromo-6-chloro-4-(propylamino)quinoline-3-carboxylate
SMILESCCCNc1c(C(=O)OCC)cnc2c(Br)cc(Cl)cc12
InChIInChI=1S/C15H16BrClN2O2/c1-3-5-18-13-10-6-9(17)7-12(16)14(10)19-8-11(13)15(20)21-4-2/h6-8H,3-5H2,1-2H3,(H,18,19)
InChIKeyCONKQUNKYSKPEP-UHFFFAOYSA-N
XLogP4.65
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.66
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-chloro-8-methyl-4-(propylamino)quinoline-3-carboxylate
CID 63486439
ethyl 6,8-difluoro-4-(propylamino)quinoline-3-carboxylate
CID 63486440
3-[(6-chloro-3-ethoxycarbonyl-8-methylquinolin-4-yl)amino]propyl-dimethylazanium
CID 3354209
ethyl 6-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate
CID 2791591
ethyl 8-chloro-4-(ethylamino)-6-methylquinoline-3-carboxylate
CID 63486779
ethyl 8-chloro-4-(ethylamino)-6-fluoroquinoline-3-carboxylate
CID 63486784
ethyl 6-chloro-8-methyl-4-(3-methylanilino)quinoline-3-carboxylate
CID 1186854
ethyl 6,8-dichloro-4-(furan-2-ylmethylamino)quinoline-3-carboxylate
CID 1189481
ethyl 6,8-dichloro-4-(5-chloro-2-methoxyanilino)quinoline-3-carboxylate
CID 23853494
ethyl 3-bromo-5-chloro-2-ethoxybenzoate
CID 50880228
ethyl 6,8-dibromo-4-hydrazinyl-5-methoxyquinoline-3-carboxylate
CID 103416812
ethyl 5-bromo-8-chloro-4-(ethylamino)quinoline-3-carboxylate
CID 63486785

Frequently Asked Questions

What is the IUPAC name of ethyl 8-bromo-6-chloro-4-(propylamino)quinoline-3-carboxylate?
The IUPAC name of ethyl 8-bromo-6-chloro-4-(propylamino)quinoline-3-carboxylate (CID 81256553) is ethyl 8-bromo-6-chloro-4-(propylamino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 8-bromo-6-chloro-4-(propylamino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 8-bromo-6-chloro-4-(propylamino)quinoline-3-carboxylate is CCCNc1c(C(=O)OCC)cnc2c(Br)cc(Cl)cc12.
What is the InChIKey of ethyl 8-bromo-6-chloro-4-(propylamino)quinoline-3-carboxylate?
The InChIKey is CONKQUNKYSKPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2O2/c1-3-5-18-13-10-6-9(17)7-12(16)14(10)19-8-11(13)15(20)21-4-2/h6-8H,3-5H2,1-2H3,(H,18,19).
What are the key properties of ethyl 8-bromo-6-chloro-4-(propylamino)quinoline-3-carboxylate?
ethyl 8-bromo-6-chloro-4-(propylamino)quinoline-3-carboxylate has a molecular weight of 371.66 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-bromo-6-chloro-4-(propylamino)quinoline-3-carboxylate is sourced from PubChem (CID 81256553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).