ethyl 7-chloro-6-methoxy-4-(methylamino)quinoline-3-carboxylate

C14H15ClN2O3 — CID 54773034

IUPACethyl 7-chloro-6-methoxy-4-(methylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(Cl)c(OC)cc2c1NC
InChIInChI=1S/C14H15ClN2O3/c1-4-20-14(18)9-7-17-11-6-10(15)12(19-3)5-8(11)13(9)16-2/h5-7H,4H2,1-3H3,(H,16,17)
InChIKeyBVFSODFLEVXKLD-UHFFFAOYSA-N
MW294.74 g/mol
LogP3.12
Rot. Bonds4

About ethyl 7-chloro-6-methoxy-4-(methylamino)quinoline-3-carboxylate

ethyl 7-chloro-6-methoxy-4-(methylamino)quinoline-3-carboxylate (PubChem CID 54773034) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is ethyl 7-chloro-6-methoxy-4-(methylamino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloro-6-methoxy-4-(methylamino)quinoline-3-carboxylate
PubChem CID54773034
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Nameethyl 7-chloro-6-methoxy-4-(methylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(Cl)c(OC)cc2c1NC
InChIInChI=1S/C14H15ClN2O3/c1-4-20-14(18)9-7-17-11-6-10(15)12(19-3)5-8(11)13(9)16-2/h5-7H,4H2,1-3H3,(H,16,17)
InChIKeyBVFSODFLEVXKLD-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 6-chloro-4-hydrazinyl-7-methoxyquinoline-3-carboxylate
CID 107623171
ethyl 7-chloro-6-methoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate
CID 22333896
ethyl 7-chloro-4-(dimethylamino)-6-methoxyquinoline-3-carboxylate
CID 54772978
ethyl 6-methoxy-4-(methylamino)quinoline-3-carboxylate
CID 46397911
ethyl 8-methoxy-6-methyl-4-(methylamino)quinoline-3-carboxylate
CID 54773049
3-O-ethyl 7-O-methyl 4-(methylamino)quinoline-3,7-dicarboxylate
CID 46397906
ethyl 4-chloro-7-fluoro-6-methoxyquinoline-3-carboxylate
CID 22136427
ethyl 8-chloro-5-methoxy-4-(methylamino)quinoline-3-carboxylate
CID 62191865
ethyl 6-bromo-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxylate
CID 150234989
ethyl 4-chloro-7-hydroxyquinoline-3-carboxylate
CID 135735505
ethyl 6-bromo-7-methoxy-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate
CID 151694094
methyl 4-chloro-6,7-dimethoxyquinoline-3-carboxylate
CID 102614410

Frequently Asked Questions

What is the IUPAC name of ethyl 7-chloro-6-methoxy-4-(methylamino)quinoline-3-carboxylate?
The IUPAC name of ethyl 7-chloro-6-methoxy-4-(methylamino)quinoline-3-carboxylate (CID 54773034) is ethyl 7-chloro-6-methoxy-4-(methylamino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-chloro-6-methoxy-4-(methylamino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 7-chloro-6-methoxy-4-(methylamino)quinoline-3-carboxylate is CCOC(=O)c1cnc2cc(Cl)c(OC)cc2c1NC.
What is the InChIKey of ethyl 7-chloro-6-methoxy-4-(methylamino)quinoline-3-carboxylate?
The InChIKey is BVFSODFLEVXKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-4-20-14(18)9-7-17-11-6-10(15)12(19-3)5-8(11)13(9)16-2/h5-7H,4H2,1-3H3,(H,16,17).
What are the key properties of ethyl 7-chloro-6-methoxy-4-(methylamino)quinoline-3-carboxylate?
ethyl 7-chloro-6-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 7-chloro-6-methoxy-4-(methylamino)quinoline-3-carboxylate is sourced from PubChem (CID 54773034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).