ethyl 2-(cyclopentylamino)-8-methoxyquinoline-3-carboxylate

C18H22N2O3 — CID 142785566

IUPACethyl 2-(cyclopentylamino)-8-methoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cc2cccc(OC)c2nc1NC1CCCC1
InChIInChI=1S/C18H22N2O3/c1-3-23-18(21)14-11-12-7-6-10-15(22-2)16(12)20-17(14)19-13-8-4-5-9-13/h6-7,10-11,13H,3-5,8-9H2,1-2H3,(H,19,20)
InChIKeyXILGIIYENHCQRO-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.77
Rot. Bonds5

About ethyl 2-(cyclopentylamino)-8-methoxyquinoline-3-carboxylate

ethyl 2-(cyclopentylamino)-8-methoxyquinoline-3-carboxylate (PubChem CID 142785566) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is ethyl 2-(cyclopentylamino)-8-methoxyquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(cyclopentylamino)-8-methoxyquinoline-3-carboxylate
PubChem CID142785566
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Nameethyl 2-(cyclopentylamino)-8-methoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cc2cccc(OC)c2nc1NC1CCCC1
InChIInChI=1S/C18H22N2O3/c1-3-23-18(21)14-11-12-7-6-10-15(22-2)16(12)20-17(14)19-13-8-4-5-9-13/h6-7,10-11,13H,3-5,8-9H2,1-2H3,(H,19,20)
InChIKeyXILGIIYENHCQRO-UHFFFAOYSA-N
XLogP3.77
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopentylamino)-8-methoxyquinoline-3-carboxylate?
The IUPAC name of ethyl 2-(cyclopentylamino)-8-methoxyquinoline-3-carboxylate (CID 142785566) is ethyl 2-(cyclopentylamino)-8-methoxyquinoline-3-carboxylate.
What is the SMILES notation for ethyl 2-(cyclopentylamino)-8-methoxyquinoline-3-carboxylate?
The canonical SMILES for ethyl 2-(cyclopentylamino)-8-methoxyquinoline-3-carboxylate is CCOC(=O)c1cc2cccc(OC)c2nc1NC1CCCC1.
What is the InChIKey of ethyl 2-(cyclopentylamino)-8-methoxyquinoline-3-carboxylate?
The InChIKey is XILGIIYENHCQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-3-23-18(21)14-11-12-7-6-10-15(22-2)16(12)20-17(14)19-13-8-4-5-9-13/h6-7,10-11,13H,3-5,8-9H2,1-2H3,(H,19,20).
What are the key properties of ethyl 2-(cyclopentylamino)-8-methoxyquinoline-3-carboxylate?
ethyl 2-(cyclopentylamino)-8-methoxyquinoline-3-carboxylate has a molecular weight of 314.39 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopentylamino)-8-methoxyquinoline-3-carboxylate is sourced from PubChem (CID 142785566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).