ethyl 8-chloro-5-methoxy-4-(methylamino)quinoline-3-carboxylate

C14H15ClN2O3 — CID 62191865

IUPACethyl 8-chloro-5-methoxy-4-(methylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(Cl)ccc(OC)c2c1NC
InChIInChI=1S/C14H15ClN2O3/c1-4-20-14(18)8-7-17-13-9(15)5-6-10(19-3)11(13)12(8)16-2/h5-7H,4H2,1-3H3,(H,16,17)
InChIKeyGEJMMRNKCKQLOU-UHFFFAOYSA-N
MW294.74 g/mol
LogP3.12
Rot. Bonds4

About ethyl 8-chloro-5-methoxy-4-(methylamino)quinoline-3-carboxylate

ethyl 8-chloro-5-methoxy-4-(methylamino)quinoline-3-carboxylate (PubChem CID 62191865) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is ethyl 8-chloro-5-methoxy-4-(methylamino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-chloro-5-methoxy-4-(methylamino)quinoline-3-carboxylate
PubChem CID62191865
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Nameethyl 8-chloro-5-methoxy-4-(methylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(Cl)ccc(OC)c2c1NC
InChIInChI=1S/C14H15ClN2O3/c1-4-20-14(18)8-7-17-13-9(15)5-6-10(19-3)11(13)12(8)16-2/h5-7H,4H2,1-3H3,(H,16,17)
InChIKeyGEJMMRNKCKQLOU-UHFFFAOYSA-N
XLogP3.12
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 7-chloro-6-methoxy-4-(methylamino)quinoline-3-carboxylate
CID 54773034
ethyl 4-anilino-5,8-dimethoxyquinoline-3-carboxylate
CID 13038487
ethyl 5-bromo-8-chloro-4-(ethylamino)quinoline-3-carboxylate
CID 63486785
ethyl 8-methoxy-6-methyl-4-(methylamino)quinoline-3-carboxylate
CID 54773049
ethyl 4-amino-5,8-dimethoxyquinoline-3-carboxylate
CID 46397829
ethyl 6,8-dichloro-4-(5-chloro-2-methoxyanilino)quinoline-3-carboxylate
CID 23853494
ethyl 7,8-dichloro-4-(2,5-dimethoxyanilino)quinoline-3-carboxylate
CID 23995336
ethyl 5-chloro-4-(ethylamino)-8-methylquinoline-3-carboxylate
CID 63484840
ethyl 5,6,8-trifluoro-4-(methylamino)quinoline-3-carboxylate
CID 62809200
ethyl 6-chloro-4-hydrazinyl-7-methoxyquinoline-3-carboxylate
CID 107623171
ethyl 4-anilino-5-chloro-6,8-dimethoxyquinoline-3-carboxylate
CID 44537262
methyl 5-chloro-8-fluoro-4-(methylamino)quinoline-3-carboxylate
CID 102614784

Frequently Asked Questions

What is the IUPAC name of ethyl 8-chloro-5-methoxy-4-(methylamino)quinoline-3-carboxylate?
The IUPAC name of ethyl 8-chloro-5-methoxy-4-(methylamino)quinoline-3-carboxylate (CID 62191865) is ethyl 8-chloro-5-methoxy-4-(methylamino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 8-chloro-5-methoxy-4-(methylamino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 8-chloro-5-methoxy-4-(methylamino)quinoline-3-carboxylate is CCOC(=O)c1cnc2c(Cl)ccc(OC)c2c1NC.
What is the InChIKey of ethyl 8-chloro-5-methoxy-4-(methylamino)quinoline-3-carboxylate?
The InChIKey is GEJMMRNKCKQLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-4-20-14(18)8-7-17-13-9(15)5-6-10(19-3)11(13)12(8)16-2/h5-7H,4H2,1-3H3,(H,16,17).
What are the key properties of ethyl 8-chloro-5-methoxy-4-(methylamino)quinoline-3-carboxylate?
ethyl 8-chloro-5-methoxy-4-(methylamino)quinoline-3-carboxylate has a molecular weight of 294.74 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-chloro-5-methoxy-4-(methylamino)quinoline-3-carboxylate is sourced from PubChem (CID 62191865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).