ethyl 2-[(3-bromoquinolin-8-yl)amino]pentanoate

C16H19BrN2O2 — CID 116784288

IUPACethyl 2-[(3-bromoquinolin-8-yl)amino]pentanoate
SMILESCCCC(Nc1cccc2cc(Br)cnc12)C(=O)OCC
InChIInChI=1S/C16H19BrN2O2/c1-3-6-14(16(20)21-4-2)19-13-8-5-7-11-9-12(17)10-18-15(11)13/h5,7-10,14,19H,3-4,6H2,1-2H3
InChIKeyXRDDNODEQZZPNU-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.14
Rot. Bonds6

About ethyl 2-[(3-bromoquinolin-8-yl)amino]pentanoate

ethyl 2-[(3-bromoquinolin-8-yl)amino]pentanoate (PubChem CID 116784288) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is ethyl 2-[(3-bromoquinolin-8-yl)amino]pentanoate.

Molecular Properties

Compound Nameethyl 2-[(3-bromoquinolin-8-yl)amino]pentanoate
PubChem CID116784288
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Nameethyl 2-[(3-bromoquinolin-8-yl)amino]pentanoate
SMILESCCCC(Nc1cccc2cc(Br)cnc12)C(=O)OCC
InChIInChI=1S/C16H19BrN2O2/c1-3-6-14(16(20)21-4-2)19-13-8-5-7-11-9-12(17)10-18-15(11)13/h5,7-10,14,19H,3-4,6H2,1-2H3
InChIKeyXRDDNODEQZZPNU-UHFFFAOYSA-N
XLogP4.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[(3-bromoquinolin-8-yl)amino]butanoate
CID 116784151
3-bromo-N-pentan-3-ylquinolin-8-amine
CID 116783436
ethyl 2-(2-bromoanilino)pentanoate
CID 54890587
ethyl 2-(3-iodo-2-methylanilino)pentanoate
CID 114257341
2-(aminomethyl)-N-(3-bromoquinolin-8-yl)-2-ethylbutanamide
CID 116784341
methyl (E)-3-[(3-bromoquinolin-8-yl)amino]prop-2-enoate
CID 103267542
2-[(3-bromoquinolin-8-yl)sulfamoyl]butanethioamide
CID 116784591
2-amino-N-(3-bromoquinolin-8-yl)-5-methoxypentanamide
CID 116784369
4-amino-N-(3-bromoquinolin-8-yl)-3-methylbutanamide
CID 116784378
methyl 2-[(3-bromoquinolin-8-yl)sulfamoyl]propanoate
CID 116784844
(2R)-2-amino-N-(3-bromoquinolin-8-yl)-4-methylsulfanylbutanamide
CID 104909142
ethyl 2-[4-bromo-2-(trifluoromethyl)anilino]pentanoate
CID 83035937

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-bromoquinolin-8-yl)amino]pentanoate?
The IUPAC name of ethyl 2-[(3-bromoquinolin-8-yl)amino]pentanoate (CID 116784288) is ethyl 2-[(3-bromoquinolin-8-yl)amino]pentanoate.
What is the SMILES notation for ethyl 2-[(3-bromoquinolin-8-yl)amino]pentanoate?
The canonical SMILES for ethyl 2-[(3-bromoquinolin-8-yl)amino]pentanoate is CCCC(Nc1cccc2cc(Br)cnc12)C(=O)OCC.
What is the InChIKey of ethyl 2-[(3-bromoquinolin-8-yl)amino]pentanoate?
The InChIKey is XRDDNODEQZZPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-3-6-14(16(20)21-4-2)19-13-8-5-7-11-9-12(17)10-18-15(11)13/h5,7-10,14,19H,3-4,6H2,1-2H3.
What are the key properties of ethyl 2-[(3-bromoquinolin-8-yl)amino]pentanoate?
ethyl 2-[(3-bromoquinolin-8-yl)amino]pentanoate has a molecular weight of 351.24 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-bromoquinolin-8-yl)amino]pentanoate is sourced from PubChem (CID 116784288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).