ethyl 4-chloro-6-(dimethylamino)quinoline-3-carboxylate

C14H15ClN2O2 — CID 43617132

IUPACethyl 4-chloro-6-(dimethylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(N(C)C)cc2c1Cl
InChIInChI=1S/C14H15ClN2O2/c1-4-19-14(18)11-8-16-12-6-5-9(17(2)3)7-10(12)13(11)15/h5-8H,4H2,1-3H3
InChIKeyNPORWXVFNLGWCR-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.13
Rot. Bonds3

About ethyl 4-chloro-6-(dimethylamino)quinoline-3-carboxylate

ethyl 4-chloro-6-(dimethylamino)quinoline-3-carboxylate (PubChem CID 43617132) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is ethyl 4-chloro-6-(dimethylamino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-6-(dimethylamino)quinoline-3-carboxylate
PubChem CID43617132
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Nameethyl 4-chloro-6-(dimethylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(N(C)C)cc2c1Cl
InChIInChI=1S/C14H15ClN2O2/c1-4-19-14(18)11-8-16-12-6-5-9(17(2)3)7-10(12)13(11)15/h5-8H,4H2,1-3H3
InChIKeyNPORWXVFNLGWCR-UHFFFAOYSA-N
XLogP3.13
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-chloro-6-propylquinoline-3-carboxylate
CID 30058351
ethyl 4-chloro-6-pyrrolidin-1-ylquinoline-3-carboxylate
CID 63180358
ethyl 4-chloro-7-hydroxyquinoline-3-carboxylate
CID 135735505
ethyl 6-(dimethylamino)quinoline-3-carboxylate
CID 150996261
ethyl 4-chloro-7-fluoro-6-methoxyquinoline-3-carboxylate
CID 22136427
ethyl 4,6-dichloro-7-(trifluoromethyl)quinoline-3-carboxylate
CID 66487307
ethyl 4,8-dichloroquinoline-3-carboxylate
CID 728974
ethyl 4-chloro-5,7-dimethylquinoline-3-carboxylate
CID 1479090
diethyl 4-aminoquinoline-3,6-dicarboxylate
CID 17028175
ethyl 6-chloro-4-propan-2-ylquinoline-3-carboxylate
CID 169258410
2-[(4,8-dichloro-3-ethoxycarbonylquinolin-7-yl)-methylamino]acetic acid
CID 122052207
ethyl 7-chloro-4-(dimethylamino)-6-methoxyquinoline-3-carboxylate
CID 54772978

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-6-(dimethylamino)quinoline-3-carboxylate?
The IUPAC name of ethyl 4-chloro-6-(dimethylamino)quinoline-3-carboxylate (CID 43617132) is ethyl 4-chloro-6-(dimethylamino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-chloro-6-(dimethylamino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-chloro-6-(dimethylamino)quinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(N(C)C)cc2c1Cl.
What is the InChIKey of ethyl 4-chloro-6-(dimethylamino)quinoline-3-carboxylate?
The InChIKey is NPORWXVFNLGWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-4-19-14(18)11-8-16-12-6-5-9(17(2)3)7-10(12)13(11)15/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 4-chloro-6-(dimethylamino)quinoline-3-carboxylate?
ethyl 4-chloro-6-(dimethylamino)quinoline-3-carboxylate has a molecular weight of 278.74 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-6-(dimethylamino)quinoline-3-carboxylate is sourced from PubChem (CID 43617132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).