ethyl 7-chloro-4-(dimethylamino)-6-methoxyquinoline-3-carboxylate

C15H17ClN2O3 — CID 54772978

IUPACethyl 7-chloro-4-(dimethylamino)-6-methoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(Cl)c(OC)cc2c1N(C)C
InChIInChI=1S/C15H17ClN2O3/c1-5-21-15(19)10-8-17-12-7-11(16)13(20-4)6-9(12)14(10)18(2)3/h6-8H,5H2,1-4H3
InChIKeyWDWVSCONSIQUFY-UHFFFAOYSA-N
MW308.77 g/mol
LogP3.14
Rot. Bonds4

About ethyl 7-chloro-4-(dimethylamino)-6-methoxyquinoline-3-carboxylate

ethyl 7-chloro-4-(dimethylamino)-6-methoxyquinoline-3-carboxylate (PubChem CID 54772978) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.77 g/mol. Its IUPAC name is ethyl 7-chloro-4-(dimethylamino)-6-methoxyquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloro-4-(dimethylamino)-6-methoxyquinoline-3-carboxylate
PubChem CID54772978
Molecular FormulaC15H17ClN2O3
Molecular Weight308.77 g/mol
Exact Mass308.09
IUPAC Nameethyl 7-chloro-4-(dimethylamino)-6-methoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(Cl)c(OC)cc2c1N(C)C
InChIInChI=1S/C15H17ClN2O3/c1-5-21-15(19)10-8-17-12-7-11(16)13(20-4)6-9(12)14(10)18(2)3/h6-8H,5H2,1-4H3
InChIKeyWDWVSCONSIQUFY-UHFFFAOYSA-N
XLogP3.14
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 7-chloro-6-methoxy-4-(methylamino)quinoline-3-carboxylate
CID 54773034
ethyl 4-chloro-7-fluoro-6-methoxyquinoline-3-carboxylate
CID 22136427
ethyl 6-chloro-4-hydrazinyl-7-methoxyquinoline-3-carboxylate
CID 107623171
diethyl 4-(dimethylamino)quinoline-3,7-dicarboxylate
CID 43839933
ethyl 7-bromo-4-(dimethylamino)quinoline-3-carboxylate
CID 50877246
ethyl 7-chloro-6-methoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate
CID 22333896
ethyl 4-chloro-6-(dimethylamino)quinoline-3-carboxylate
CID 43617132
ethyl 4-amino-6-chloro-7-fluoroquinoline-3-carboxylate
CID 103996712
ethyl 8-(2,3-dichlorophenyl)-4-(dimethylamino)-7-fluoroquinoline-3-carboxylate
CID 156882033
ethyl 4-chloro-7-hydroxyquinoline-3-carboxylate
CID 135735505
ethyl 4,6-dichloro-7-(trifluoromethyl)quinoline-3-carboxylate
CID 66487307
ethyl 6-bromo-4-chloro-5-fluoro-7-methoxyquinoline-3-carboxylate
CID 163217955

Frequently Asked Questions

What is the IUPAC name of ethyl 7-chloro-4-(dimethylamino)-6-methoxyquinoline-3-carboxylate?
The IUPAC name of ethyl 7-chloro-4-(dimethylamino)-6-methoxyquinoline-3-carboxylate (CID 54772978) is ethyl 7-chloro-4-(dimethylamino)-6-methoxyquinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-chloro-4-(dimethylamino)-6-methoxyquinoline-3-carboxylate?
The canonical SMILES for ethyl 7-chloro-4-(dimethylamino)-6-methoxyquinoline-3-carboxylate is CCOC(=O)c1cnc2cc(Cl)c(OC)cc2c1N(C)C.
What is the InChIKey of ethyl 7-chloro-4-(dimethylamino)-6-methoxyquinoline-3-carboxylate?
The InChIKey is WDWVSCONSIQUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-5-21-15(19)10-8-17-12-7-11(16)13(20-4)6-9(12)14(10)18(2)3/h6-8H,5H2,1-4H3.
What are the key properties of ethyl 7-chloro-4-(dimethylamino)-6-methoxyquinoline-3-carboxylate?
ethyl 7-chloro-4-(dimethylamino)-6-methoxyquinoline-3-carboxylate has a molecular weight of 308.77 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chloro-4-(dimethylamino)-6-methoxyquinoline-3-carboxylate is sourced from PubChem (CID 54772978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).