ethyl 4-(3-chloro-4-pyridinyl)-2,3-dimethylquinoline-6-carboxylate

C19H17ClN2O2 — CID 67961227

IUPACethyl 4-(3-chloro-4-pyridinyl)-2,3-dimethylquinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(C)c(C)c(-c3ccncc3Cl)c2c1
InChIInChI=1S/C19H17ClN2O2/c1-4-24-19(23)13-5-6-17-15(9-13)18(11(2)12(3)22-17)14-7-8-21-10-16(14)20/h5-10H,4H2,1-3H3
InChIKeyCNNNCOVWCWOQOL-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.74
Rot. Bonds3

About ethyl 4-(3-chloro-4-pyridinyl)-2,3-dimethylquinoline-6-carboxylate

ethyl 4-(3-chloro-4-pyridinyl)-2,3-dimethylquinoline-6-carboxylate (PubChem CID 67961227) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is ethyl 4-(3-chloro-4-pyridinyl)-2,3-dimethylquinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-chloro-4-pyridinyl)-2,3-dimethylquinoline-6-carboxylate
PubChem CID67961227
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Nameethyl 4-(3-chloro-4-pyridinyl)-2,3-dimethylquinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(C)c(C)c(-c3ccncc3Cl)c2c1
InChIInChI=1S/C19H17ClN2O2/c1-4-24-19(23)13-5-6-17-15(9-13)18(11(2)12(3)22-17)14-7-8-21-10-16(14)20/h5-10H,4H2,1-3H3
InChIKeyCNNNCOVWCWOQOL-UHFFFAOYSA-N
XLogP4.74
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-chloro-4-pyridinyl)-2,3-dimethylquinoline-6-carboxylate?
The IUPAC name of ethyl 4-(3-chloro-4-pyridinyl)-2,3-dimethylquinoline-6-carboxylate (CID 67961227) is ethyl 4-(3-chloro-4-pyridinyl)-2,3-dimethylquinoline-6-carboxylate.
What is the SMILES notation for ethyl 4-(3-chloro-4-pyridinyl)-2,3-dimethylquinoline-6-carboxylate?
The canonical SMILES for ethyl 4-(3-chloro-4-pyridinyl)-2,3-dimethylquinoline-6-carboxylate is CCOC(=O)c1ccc2nc(C)c(C)c(-c3ccncc3Cl)c2c1.
What is the InChIKey of ethyl 4-(3-chloro-4-pyridinyl)-2,3-dimethylquinoline-6-carboxylate?
The InChIKey is CNNNCOVWCWOQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-4-24-19(23)13-5-6-17-15(9-13)18(11(2)12(3)22-17)14-7-8-21-10-16(14)20/h5-10H,4H2,1-3H3.
What are the key properties of ethyl 4-(3-chloro-4-pyridinyl)-2,3-dimethylquinoline-6-carboxylate?
ethyl 4-(3-chloro-4-pyridinyl)-2,3-dimethylquinoline-6-carboxylate has a molecular weight of 340.81 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-chloro-4-pyridinyl)-2,3-dimethylquinoline-6-carboxylate is sourced from PubChem (CID 67961227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).