ethyl 5-bromo-8-chloro-4-(ethylamino)quinoline-3-carboxylate

C14H14BrClN2O2 — CID 63486785

IUPACethyl 5-bromo-8-chloro-4-(ethylamino)quinoline-3-carboxylate
SMILESCCNc1c(C(=O)OCC)cnc2c(Cl)ccc(Br)c12
InChIInChI=1S/C14H14BrClN2O2/c1-3-17-12-8(14(19)20-4-2)7-18-13-10(16)6-5-9(15)11(12)13/h5-7H,3-4H2,1-2H3,(H,17,18)
InChIKeyQFAKXBXEFLRATB-UHFFFAOYSA-N
MW357.64 g/mol
LogP4.26
Rot. Bonds4

About ethyl 5-bromo-8-chloro-4-(ethylamino)quinoline-3-carboxylate

ethyl 5-bromo-8-chloro-4-(ethylamino)quinoline-3-carboxylate (PubChem CID 63486785) has the molecular formula C14H14BrClN2O2 and a molecular weight of 357.64 g/mol. Its IUPAC name is ethyl 5-bromo-8-chloro-4-(ethylamino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-bromo-8-chloro-4-(ethylamino)quinoline-3-carboxylate
PubChem CID63486785
Molecular FormulaC14H14BrClN2O2
Molecular Weight357.64 g/mol
Exact Mass355.99
IUPAC Nameethyl 5-bromo-8-chloro-4-(ethylamino)quinoline-3-carboxylate
SMILESCCNc1c(C(=O)OCC)cnc2c(Cl)ccc(Br)c12
InChIInChI=1S/C14H14BrClN2O2/c1-3-17-12-8(14(19)20-4-2)7-18-13-10(16)6-5-9(15)11(12)13/h5-7H,3-4H2,1-2H3,(H,17,18)
InChIKeyQFAKXBXEFLRATB-UHFFFAOYSA-N
XLogP4.26
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.64
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 5-bromo-8-chloro-4-(ethylamino)quinoline-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-chloro-4-(ethylamino)-8-methylquinoline-3-carboxylate
CID 63484840
ethyl 8-chloro-5-methoxy-4-(methylamino)quinoline-3-carboxylate
CID 62191865
ethyl 8-chloro-4-(ethylamino)-6-methylquinoline-3-carboxylate
CID 63486779
ethyl 8-chloro-4-(ethylamino)-6-fluoroquinoline-3-carboxylate
CID 63486784
ethyl 4-(ethylamino)-5,6,8-trifluoroquinoline-3-carboxylate
CID 62809371
ethyl 4-bromo-8-chloroquinoline-3-carboxylate
CID 17040074
ethyl 7-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate
CID 2791596
ethyl 8-bromo-6-chloro-4-(propylamino)quinoline-3-carboxylate
CID 81256553
ethyl 4-anilino-8-chloroquinoline-3-carboxylate
CID 728783
ethyl 6,8-dibromo-4-hydrazinyl-5-methoxyquinoline-3-carboxylate
CID 103416812
ethyl 4-(benzylamino)-7-chloro-8-methylquinoline-3-carboxylate;hydrochloride
CID 2789452
ethyl 8-chloro-4-(2-phenylethylamino)quinoline-3-carboxylate
CID 1181324

Frequently Asked Questions

What is the IUPAC name of ethyl 5-bromo-8-chloro-4-(ethylamino)quinoline-3-carboxylate?
The IUPAC name of ethyl 5-bromo-8-chloro-4-(ethylamino)quinoline-3-carboxylate (CID 63486785) is ethyl 5-bromo-8-chloro-4-(ethylamino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 5-bromo-8-chloro-4-(ethylamino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 5-bromo-8-chloro-4-(ethylamino)quinoline-3-carboxylate is CCNc1c(C(=O)OCC)cnc2c(Cl)ccc(Br)c12.
What is the InChIKey of ethyl 5-bromo-8-chloro-4-(ethylamino)quinoline-3-carboxylate?
The InChIKey is QFAKXBXEFLRATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O2/c1-3-17-12-8(14(19)20-4-2)7-18-13-10(16)6-5-9(15)11(12)13/h5-7H,3-4H2,1-2H3,(H,17,18).
What are the key properties of ethyl 5-bromo-8-chloro-4-(ethylamino)quinoline-3-carboxylate?
ethyl 5-bromo-8-chloro-4-(ethylamino)quinoline-3-carboxylate has a molecular weight of 357.64 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-bromo-8-chloro-4-(ethylamino)quinoline-3-carboxylate is sourced from PubChem (CID 63486785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).