ethyl 5-chloro-4-(ethylamino)-8-methylquinoline-3-carboxylate

C15H17ClN2O2 — CID 63484840

IUPACethyl 5-chloro-4-(ethylamino)-8-methylquinoline-3-carboxylate
SMILESCCNc1c(C(=O)OCC)cnc2c(C)ccc(Cl)c12
InChIInChI=1S/C15H17ClN2O2/c1-4-17-14-10(15(19)20-5-2)8-18-13-9(3)6-7-11(16)12(13)14/h6-8H,4-5H2,1-3H3,(H,17,18)
InChIKeyUUNSXBTXHSKMFU-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.81
Rot. Bonds4

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

ethyl 5-chloro-4-(ethylamino)-8-methylquinoline-3-carboxylate (PubChem CID 63484840) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is ethyl 5-chloro-4-(ethylamino)-8-methylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloro-4-(ethylamino)-8-methylquinoline-3-carboxylate
PubChem CID63484840
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Nameethyl 5-chloro-4-(ethylamino)-8-methylquinoline-3-carboxylate
SMILESCCNc1c(C(=O)OCC)cnc2c(C)ccc(Cl)c12
InChIInChI=1S/C15H17ClN2O2/c1-4-17-14-10(15(19)20-5-2)8-18-13-9(3)6-7-11(16)12(13)14/h6-8H,4-5H2,1-3H3,(H,17,18)
InChIKeyUUNSXBTXHSKMFU-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 5-bromo-8-chloro-4-(ethylamino)quinoline-3-carboxylate
CID 63486785
ethyl 4-hydrazinyl-5,8-dimethylquinoline-3-carboxylate
CID 62250481
ethyl 8-chloro-4-(ethylamino)-6-methylquinoline-3-carboxylate
CID 63486779
ethyl 8-chloro-4-(ethylamino)-6-fluoroquinoline-3-carboxylate
CID 63486784
ethyl 4-chloro-5-iodo-8-methylquinoline-3-carboxylate
CID 114257610
ethyl 4-(ethylamino)-5,6,8-trifluoroquinoline-3-carboxylate
CID 62809371
ethyl 8-chloro-5-methoxy-4-(methylamino)quinoline-3-carboxylate
CID 62191865
ethyl 7-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate
CID 2791596
ethyl 6-chloro-8-methyl-4-(propylamino)quinoline-3-carboxylate
CID 63486439
ethyl 8-chloro-4-(2-phenylethylamino)quinoline-3-carboxylate
CID 1181324
ethyl 4-(benzylamino)-7-chloro-8-methylquinoline-3-carboxylate;hydrochloride
CID 2789452
ethyl 4-(ethylamino)-[1]benzofuro[3,2-b]pyridine-3-carboxylate
CID 10660706

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-4-(ethylamino)-8-methylquinoline-3-carboxylate?
The IUPAC name of ethyl 5-chloro-4-(ethylamino)-8-methylquinoline-3-carboxylate (CID 63484840) is ethyl 5-chloro-4-(ethylamino)-8-methylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 5-chloro-4-(ethylamino)-8-methylquinoline-3-carboxylate?
The canonical SMILES for ethyl 5-chloro-4-(ethylamino)-8-methylquinoline-3-carboxylate is CCNc1c(C(=O)OCC)cnc2c(C)ccc(Cl)c12.
What is the InChIKey of ethyl 5-chloro-4-(ethylamino)-8-methylquinoline-3-carboxylate?
The InChIKey is UUNSXBTXHSKMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-4-17-14-10(15(19)20-5-2)8-18-13-9(3)6-7-11(16)12(13)14/h6-8H,4-5H2,1-3H3,(H,17,18).
What are the key properties of ethyl 5-chloro-4-(ethylamino)-8-methylquinoline-3-carboxylate?
ethyl 5-chloro-4-(ethylamino)-8-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 5-chloro-4-(ethylamino)-8-methylquinoline-3-carboxylate is sourced from PubChem (CID 63484840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).