ethyl 4-(cyclopentylamino)-8-(trifluoromethoxy)quinoline-3-carboxylate

C18H19F3N2O3 — CID 67250210

IUPACethyl 4-(cyclopentylamino)-8-(trifluoromethoxy)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OC(F)(F)F)cccc2c1NC1CCCC1
InChIInChI=1S/C18H19F3N2O3/c1-2-25-17(24)13-10-22-16-12(15(13)23-11-6-3-4-7-11)8-5-9-14(16)26-18(19,20)21/h5,8-11H,2-4,6-7H2,1H3,(H,22,23)
InChIKeyUYLHQUGNWWOVPH-UHFFFAOYSA-N
MW368.36 g/mol
LogP4.66
Rot. Bonds5

About ethyl 4-(cyclopentylamino)-8-(trifluoromethoxy)quinoline-3-carboxylate

ethyl 4-(cyclopentylamino)-8-(trifluoromethoxy)quinoline-3-carboxylate (PubChem CID 67250210) has the molecular formula C18H19F3N2O3 and a molecular weight of 368.36 g/mol. Its IUPAC name is ethyl 4-(cyclopentylamino)-8-(trifluoromethoxy)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(cyclopentylamino)-8-(trifluoromethoxy)quinoline-3-carboxylate
PubChem CID67250210
Molecular FormulaC18H19F3N2O3
Molecular Weight368.36 g/mol
Exact Mass368.13
IUPAC Nameethyl 4-(cyclopentylamino)-8-(trifluoromethoxy)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OC(F)(F)F)cccc2c1NC1CCCC1
InChIInChI=1S/C18H19F3N2O3/c1-2-25-17(24)13-10-22-16-12(15(13)23-11-6-3-4-7-11)8-5-9-14(16)26-18(19,20)21/h5,8-11H,2-4,6-7H2,1H3,(H,22,23)
InChIKeyUYLHQUGNWWOVPH-UHFFFAOYSA-N
XLogP4.66
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-amino-8-(trifluoromethoxy)quinoline-3-carboxylate
CID 62188335
ethyl 4-chloro-8-(trifluoromethoxy)quinoline-3-carboxylate
CID 29272013
ethyl 4-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 138624616
ethyl 4-(cyclohexylamino)-6-ethoxyquinoline-3-carboxylate
CID 696570
ethyl 8-methoxy-4-(2-methoxyanilino)quinoline-3-carboxylate;hydrochloride
CID 13038443
ethyl 4-[[(2R)-2-hydroxypropyl]amino]-8-methoxyquinoline-3-carboxylate
CID 708704
ethyl 8-methoxy-4-(1-phenylethylamino)quinoline-3-carboxylate;hydrate
CID 20529010
ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate
CID 13038439
ethyl 8-methoxy-4-(naphthalen-1-ylamino)quinoline-3-carboxylate
CID 1190582
ethyl 6-bromo-4-(cyclopropylamino)-7-(trifluoromethyl)quinoline-3-carboxylate
CID 151614277
ethyl 4-hydrazinyl-8-propan-2-ylquinoline-3-carboxylate
CID 62252346
ethyl 4-hydrazinyl-8-iodoquinoline-3-carboxylate
CID 62250848

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(cyclopentylamino)-8-(trifluoromethoxy)quinoline-3-carboxylate?
The IUPAC name of ethyl 4-(cyclopentylamino)-8-(trifluoromethoxy)quinoline-3-carboxylate (CID 67250210) is ethyl 4-(cyclopentylamino)-8-(trifluoromethoxy)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(cyclopentylamino)-8-(trifluoromethoxy)quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(cyclopentylamino)-8-(trifluoromethoxy)quinoline-3-carboxylate is CCOC(=O)c1cnc2c(OC(F)(F)F)cccc2c1NC1CCCC1.
What is the InChIKey of ethyl 4-(cyclopentylamino)-8-(trifluoromethoxy)quinoline-3-carboxylate?
The InChIKey is UYLHQUGNWWOVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3/c1-2-25-17(24)13-10-22-16-12(15(13)23-11-6-3-4-7-11)8-5-9-14(16)26-18(19,20)21/h5,8-11H,2-4,6-7H2,1H3,(H,22,23).
What are the key properties of ethyl 4-(cyclopentylamino)-8-(trifluoromethoxy)quinoline-3-carboxylate?
ethyl 4-(cyclopentylamino)-8-(trifluoromethoxy)quinoline-3-carboxylate has a molecular weight of 368.36 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(cyclopentylamino)-8-(trifluoromethoxy)quinoline-3-carboxylate is sourced from PubChem (CID 67250210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).