ethyl 4-[(7-fluoroquinolin-4-yl)amino]pentanoate

C16H19FN2O2 — CID 133407100

IUPACethyl 4-[(7-fluoroquinolin-4-yl)amino]pentanoate
SMILESCCOC(=O)CCC(C)Nc1ccnc2cc(F)ccc12
InChIInChI=1S/C16H19FN2O2/c1-3-21-16(20)7-4-11(2)19-14-8-9-18-15-10-12(17)5-6-13(14)15/h5-6,8-11H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyVOBJSOZMQMIRPK-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.52
Rot. Bonds6

About ethyl 4-[(7-fluoroquinolin-4-yl)amino]pentanoate

ethyl 4-[(7-fluoroquinolin-4-yl)amino]pentanoate (PubChem CID 133407100) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is ethyl 4-[(7-fluoroquinolin-4-yl)amino]pentanoate.

Molecular Properties

Compound Nameethyl 4-[(7-fluoroquinolin-4-yl)amino]pentanoate
PubChem CID133407100
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Nameethyl 4-[(7-fluoroquinolin-4-yl)amino]pentanoate
SMILESCCOC(=O)CCC(C)Nc1ccnc2cc(F)ccc12
InChIInChI=1S/C16H19FN2O2/c1-3-21-16(20)7-4-11(2)19-14-8-9-18-15-10-12(17)5-6-13(14)15/h5-6,8-11H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyVOBJSOZMQMIRPK-UHFFFAOYSA-N
XLogP3.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(8-methylquinolin-4-yl)amino]pentanoate
CID 133407061
ethyl 4-[(6-fluoroquinazolin-4-yl)amino]pentanoate
CID 133407132
1-N,1-N-diethyl-2-N-(7-fluoroquinolin-4-yl)propane-1,2-diamine
CID 10778800
(2S)-2-[(7-fluoroquinolin-4-yl)amino]-4-methylpentanoic acid
CID 122050192
O-[(3R)-3-[(7-chloroquinolin-4-yl)amino]butyl]hydroxylamine
CID 129361753
butanedioic acid;4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 69171566
2-[(7-fluoroquinolin-4-yl)amino]acetic acid
CID 83837512
2-[4-[(7-fluoroquinolin-4-yl)amino]pentyl-(1,3-oxazol-2-ylmethyl)amino]ethanol
CID 167200255
N-[(2S)-4-bromobutan-2-yl]-7-chloroquinolin-4-amine
CID 129361750
2-aminoethyl N-[4-[(7-chloroquinolin-4-yl)amino]pentyl]carbamate;ethane;ethene
CID 144714247
3-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylbutane-1,3-diamine
CID 10267118
7-chloro-N-(4-methylsulfonylbutan-2-yl)quinolin-4-amine
CID 133365714

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(7-fluoroquinolin-4-yl)amino]pentanoate?
The IUPAC name of ethyl 4-[(7-fluoroquinolin-4-yl)amino]pentanoate (CID 133407100) is ethyl 4-[(7-fluoroquinolin-4-yl)amino]pentanoate.
What is the SMILES notation for ethyl 4-[(7-fluoroquinolin-4-yl)amino]pentanoate?
The canonical SMILES for ethyl 4-[(7-fluoroquinolin-4-yl)amino]pentanoate is CCOC(=O)CCC(C)Nc1ccnc2cc(F)ccc12.
What is the InChIKey of ethyl 4-[(7-fluoroquinolin-4-yl)amino]pentanoate?
The InChIKey is VOBJSOZMQMIRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-3-21-16(20)7-4-11(2)19-14-8-9-18-15-10-12(17)5-6-13(14)15/h5-6,8-11H,3-4,7H2,1-2H3,(H,18,19).
What are the key properties of ethyl 4-[(7-fluoroquinolin-4-yl)amino]pentanoate?
ethyl 4-[(7-fluoroquinolin-4-yl)amino]pentanoate has a molecular weight of 290.34 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(7-fluoroquinolin-4-yl)amino]pentanoate is sourced from PubChem (CID 133407100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).