ethyl 6-(dimethylamino)quinoline-3-carboxylate

C14H16N2O2 — CID 150996261

IUPACethyl 6-(dimethylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(N(C)C)cc2c1
InChIInChI=1S/C14H16N2O2/c1-4-18-14(17)11-7-10-8-12(16(2)3)5-6-13(10)15-9-11/h5-9H,4H2,1-3H3
InChIKeyLTDSPFCJNQSZLJ-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.48
Rot. Bonds3

About ethyl 6-(dimethylamino)quinoline-3-carboxylate

ethyl 6-(dimethylamino)quinoline-3-carboxylate (PubChem CID 150996261) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl 6-(dimethylamino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(dimethylamino)quinoline-3-carboxylate
PubChem CID150996261
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Nameethyl 6-(dimethylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(N(C)C)cc2c1
InChIInChI=1S/C14H16N2O2/c1-4-18-14(17)11-7-10-8-12(16(2)3)5-6-13(10)15-9-11/h5-9H,4H2,1-3H3
InChIKeyLTDSPFCJNQSZLJ-UHFFFAOYSA-N
XLogP2.48
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 7-(dimethylamino)-6-fluoroquinoline-3-carboxylate
CID 129247650
ethyl 7-methoxyquinoline-3-carboxylate;hydrochloride
CID 22326874
ethyl 4-chloro-6-(dimethylamino)quinoline-3-carboxylate
CID 43617132
ethyl 3-cyclopropylquinoline-6-carboxylate
CID 139487727
ethyl 5-hydroxyquinoline-3-carboxylate
CID 135618214
ethyl 6-(4-carbamoylpiperidin-1-yl)quinoline-3-carboxylate
CID 150911210
ethyl 7-ethenyl-6-fluoroquinoline-3-carboxylate
CID 129247870
ethyl 6-fluoro-7-methoxyquinoline-3-carboxylate
CID 129247905
ethyl 6-[(1-methylpiperidin-4-yl)methylamino]quinoline-3-carboxylate
CID 150591604
butyl quinoline-3-carboxylate
CID 54753708
ethyl 8-fluoroquinoline-3-carboxylate
CID 15525332
ethyl 8-ethoxyquinoline-3-carboxylate
CID 122362443

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(dimethylamino)quinoline-3-carboxylate?
The IUPAC name of ethyl 6-(dimethylamino)quinoline-3-carboxylate (CID 150996261) is ethyl 6-(dimethylamino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-(dimethylamino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-(dimethylamino)quinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(N(C)C)cc2c1.
What is the InChIKey of ethyl 6-(dimethylamino)quinoline-3-carboxylate?
The InChIKey is LTDSPFCJNQSZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-4-18-14(17)11-7-10-8-12(16(2)3)5-6-13(10)15-9-11/h5-9H,4H2,1-3H3.
What are the key properties of ethyl 6-(dimethylamino)quinoline-3-carboxylate?
ethyl 6-(dimethylamino)quinoline-3-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(dimethylamino)quinoline-3-carboxylate is sourced from PubChem (CID 150996261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).