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

C15H17ClN2O2 — CID 63486779

IUPACethyl 8-chloro-4-(ethylamino)-6-methylquinoline-3-carboxylate
SMILESCCNc1c(C(=O)OCC)cnc2c(Cl)cc(C)cc12
InChIInChI=1S/C15H17ClN2O2/c1-4-17-13-10-6-9(3)7-12(16)14(10)18-8-11(13)15(19)20-5-2/h6-8H,4-5H2,1-3H3,(H,17,18)
InChIKeyKJPBUVZOOPASBJ-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.81
Rot. Bonds4

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

ethyl 8-chloro-4-(ethylamino)-6-methylquinoline-3-carboxylate (PubChem CID 63486779) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is ethyl 8-chloro-4-(ethylamino)-6-methylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-chloro-4-(ethylamino)-6-methylquinoline-3-carboxylate
PubChem CID63486779
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Nameethyl 8-chloro-4-(ethylamino)-6-methylquinoline-3-carboxylate
SMILESCCNc1c(C(=O)OCC)cnc2c(Cl)cc(C)cc12
InChIInChI=1S/C15H17ClN2O2/c1-4-17-13-10-6-9(3)7-12(16)14(10)18-8-11(13)15(19)20-5-2/h6-8H,4-5H2,1-3H3,(H,17,18)
InChIKeyKJPBUVZOOPASBJ-UHFFFAOYSA-N
XLogP3.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 8-chloro-4-(ethylamino)-6-fluoroquinoline-3-carboxylate
CID 63486784
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-methoxy-6-methyl-4-(methylamino)quinoline-3-carboxylate
CID 54773049
ethyl 4-chloro-6,8-dimethylquinoline-3-carboxylate
CID 3352918
ethyl 6-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate
CID 2791591
ethyl 8-bromo-6-chloro-4-(propylamino)quinoline-3-carboxylate
CID 81256553
ethyl 4-(ethylamino)-5,6,8-trifluoroquinoline-3-carboxylate
CID 62809371
ethyl 7-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate
CID 2791596
ethyl 8-chloro-4-(4-methylanilino)quinoline-3-carboxylate
CID 709130

Frequently Asked Questions

What is the IUPAC name of ethyl 8-chloro-4-(ethylamino)-6-methylquinoline-3-carboxylate?
The IUPAC name of ethyl 8-chloro-4-(ethylamino)-6-methylquinoline-3-carboxylate (CID 63486779) is ethyl 8-chloro-4-(ethylamino)-6-methylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 8-chloro-4-(ethylamino)-6-methylquinoline-3-carboxylate?
The canonical SMILES for ethyl 8-chloro-4-(ethylamino)-6-methylquinoline-3-carboxylate is CCNc1c(C(=O)OCC)cnc2c(Cl)cc(C)cc12.
What is the InChIKey of ethyl 8-chloro-4-(ethylamino)-6-methylquinoline-3-carboxylate?
The InChIKey is KJPBUVZOOPASBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-4-17-13-10-6-9(3)7-12(16)14(10)18-8-11(13)15(19)20-5-2/h6-8H,4-5H2,1-3H3,(H,17,18).
What are the key properties of ethyl 8-chloro-4-(ethylamino)-6-methylquinoline-3-carboxylate?
ethyl 8-chloro-4-(ethylamino)-6-methylquinoline-3-carboxylate has a molecular weight of 292.77 g/mol, XLogP of 3.81, 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-methylquinoline-3-carboxylate is sourced from PubChem (CID 63486779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).