ethyl 3-[(3-bromoquinolin-8-yl)amino]butanoate

C15H17BrN2O2 — CID 116784151

IUPACethyl 3-[(3-bromoquinolin-8-yl)amino]butanoate
SMILESCCOC(=O)CC(C)Nc1cccc2cc(Br)cnc12
InChIInChI=1S/C15H17BrN2O2/c1-3-20-14(19)7-10(2)18-13-6-4-5-11-8-12(16)9-17-15(11)13/h4-6,8-10,18H,3,7H2,1-2H3
InChIKeyLVUUMICEIONQSC-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.75
Rot. Bonds5

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

ethyl 3-[(3-bromoquinolin-8-yl)amino]butanoate (PubChem CID 116784151) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is ethyl 3-[(3-bromoquinolin-8-yl)amino]butanoate.

Molecular Properties

Compound Nameethyl 3-[(3-bromoquinolin-8-yl)amino]butanoate
PubChem CID116784151
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Nameethyl 3-[(3-bromoquinolin-8-yl)amino]butanoate
SMILESCCOC(=O)CC(C)Nc1cccc2cc(Br)cnc12
InChIInChI=1S/C15H17BrN2O2/c1-3-20-14(19)7-10(2)18-13-6-4-5-11-8-12(16)9-17-15(11)13/h4-6,8-10,18H,3,7H2,1-2H3
InChIKeyLVUUMICEIONQSC-UHFFFAOYSA-N
XLogP3.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(3-bromoquinolin-8-yl)amino]pentanoate
CID 116784288
3-bromo-N-pentan-3-ylquinolin-8-amine
CID 116783436
ethyl 3-(3-bromo-2-methylanilino)butanoate
CID 107633896
4-amino-N-(3-bromoquinolin-8-yl)-3-methylbutanamide
CID 116784378
ethyl (3R)-3-(3-bromoanilino)butanoate
CID 101375260
methyl 2-[(3-bromoquinolin-8-yl)sulfamoyl]propanoate
CID 116784844
3-bromo-N-but-3-yn-2-ylquinolin-8-amine
CID 116784222
3-bromo-N-(1-phenylethyl)quinolin-8-amine
CID 116783523
methyl (E)-3-[(3-bromoquinolin-8-yl)amino]prop-2-enoate
CID 103267542
ethyl 3-(2,6-dibromoanilino)butanoate
CID 107598977
2-(aminomethyl)-N-(3-bromoquinolin-8-yl)-2-ethylbutanamide
CID 116784341
N-(3-bromoquinolin-8-yl)-3-(propan-2-ylamino)propanamide
CID 116784420

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3-bromoquinolin-8-yl)amino]butanoate?
The IUPAC name of ethyl 3-[(3-bromoquinolin-8-yl)amino]butanoate (CID 116784151) is ethyl 3-[(3-bromoquinolin-8-yl)amino]butanoate.
What is the SMILES notation for ethyl 3-[(3-bromoquinolin-8-yl)amino]butanoate?
The canonical SMILES for ethyl 3-[(3-bromoquinolin-8-yl)amino]butanoate is CCOC(=O)CC(C)Nc1cccc2cc(Br)cnc12.
What is the InChIKey of ethyl 3-[(3-bromoquinolin-8-yl)amino]butanoate?
The InChIKey is LVUUMICEIONQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-3-20-14(19)7-10(2)18-13-6-4-5-11-8-12(16)9-17-15(11)13/h4-6,8-10,18H,3,7H2,1-2H3.
What are the key properties of ethyl 3-[(3-bromoquinolin-8-yl)amino]butanoate?
ethyl 3-[(3-bromoquinolin-8-yl)amino]butanoate has a molecular weight of 337.22 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3-bromoquinolin-8-yl)amino]butanoate is sourced from PubChem (CID 116784151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).