ethyl 4-chloro-6-pyrrolidin-1-ylquinoline-3-carboxylate

C16H17ClN2O2 — CID 63180358

IUPACethyl 4-chloro-6-pyrrolidin-1-ylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(N3CCCC3)cc2c1Cl
InChIInChI=1S/C16H17ClN2O2/c1-2-21-16(20)13-10-18-14-6-5-11(9-12(14)15(13)17)19-7-3-4-8-19/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyJJBODYBIRVAOTG-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.67
Rot. Bonds3

About ethyl 4-chloro-6-pyrrolidin-1-ylquinoline-3-carboxylate

ethyl 4-chloro-6-pyrrolidin-1-ylquinoline-3-carboxylate (PubChem CID 63180358) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is ethyl 4-chloro-6-pyrrolidin-1-ylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-6-pyrrolidin-1-ylquinoline-3-carboxylate
PubChem CID63180358
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Nameethyl 4-chloro-6-pyrrolidin-1-ylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(N3CCCC3)cc2c1Cl
InChIInChI=1S/C16H17ClN2O2/c1-2-21-16(20)13-10-18-14-6-5-11(9-12(14)15(13)17)19-7-3-4-8-19/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyJJBODYBIRVAOTG-UHFFFAOYSA-N
XLogP3.67
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-6-pyrrolidin-1-ylquinoline-3-carboxylate?
The IUPAC name of ethyl 4-chloro-6-pyrrolidin-1-ylquinoline-3-carboxylate (CID 63180358) is ethyl 4-chloro-6-pyrrolidin-1-ylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-chloro-6-pyrrolidin-1-ylquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-chloro-6-pyrrolidin-1-ylquinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(N3CCCC3)cc2c1Cl.
What is the InChIKey of ethyl 4-chloro-6-pyrrolidin-1-ylquinoline-3-carboxylate?
The InChIKey is JJBODYBIRVAOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-2-21-16(20)13-10-18-14-6-5-11(9-12(14)15(13)17)19-7-3-4-8-19/h5-6,9-10H,2-4,7-8H2,1H3.
What are the key properties of ethyl 4-chloro-6-pyrrolidin-1-ylquinoline-3-carboxylate?
ethyl 4-chloro-6-pyrrolidin-1-ylquinoline-3-carboxylate has a molecular weight of 304.78 g/mol, XLogP of 3.67, 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-pyrrolidin-1-ylquinoline-3-carboxylate is sourced from PubChem (CID 63180358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).