ethyl 2-[(5-chloroquinolin-8-yl)methylamino]propanoate

C15H17ClN2O2 — CID 115959237

IUPACethyl 2-[(5-chloroquinolin-8-yl)methylamino]propanoate
SMILESCCOC(=O)C(C)NCc1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H17ClN2O2/c1-3-20-15(19)10(2)18-9-11-6-7-13(16)12-5-4-8-17-14(11)12/h4-8,10,18H,3,9H2,1-2H3
InChIKeyFCNZPZCIRNKRHA-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.93
Rot. Bonds5

About ethyl 2-[(5-chloroquinolin-8-yl)methylamino]propanoate

ethyl 2-[(5-chloroquinolin-8-yl)methylamino]propanoate (PubChem CID 115959237) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is ethyl 2-[(5-chloroquinolin-8-yl)methylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(5-chloroquinolin-8-yl)methylamino]propanoate
PubChem CID115959237
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Nameethyl 2-[(5-chloroquinolin-8-yl)methylamino]propanoate
SMILESCCOC(=O)C(C)NCc1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H17ClN2O2/c1-3-20-15(19)10(2)18-9-11-6-7-13(16)12-5-4-8-17-14(11)12/h4-8,10,18H,3,9H2,1-2H3
InChIKeyFCNZPZCIRNKRHA-UHFFFAOYSA-N
XLogP2.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chloroquinolin-8-yl)methylamino]-N-methylpropanamide
CID 112617733
N-[(5-chloroquinolin-8-yl)methyl]-1-ethoxypropan-2-amine
CID 112699454
N-[(5-chloroquinolin-8-yl)methyl]-4-methylhexan-2-amine
CID 115959389
N-[(5-chloroquinolin-8-yl)methyl]but-3-yn-2-amine
CID 114415420
1-(5-chloroquinolin-8-yl)-N-ethoxymethanamine
CID 112686388
N-[(5-chloroquinolin-8-yl)methyl]-1-methylsulfonylpropan-2-amine
CID 115697482
ethyl 3-(5-chloroquinolin-8-yl)peroxy-2-methyl-3-oxopropanoate
CID 91373215
(5-chloroquinolin-8-yl)methylhydrazine
CID 112617928
2-[(5-chloroquinolin-8-yl)methylamino]-N-ethylacetamide
CID 112699417
2-[(5-chloroquinolin-8-yl)methylamino]ethyl carbamate
CID 112617841
2-[(5-bromoquinolin-8-yl)methylamino]-N-propylpropanamide
CID 115959136
ethyl 2-[(3-chloro-2-hydroxyphenyl)methylamino]propanoate
CID 112606688

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-chloroquinolin-8-yl)methylamino]propanoate?
The IUPAC name of ethyl 2-[(5-chloroquinolin-8-yl)methylamino]propanoate (CID 115959237) is ethyl 2-[(5-chloroquinolin-8-yl)methylamino]propanoate.
What is the SMILES notation for ethyl 2-[(5-chloroquinolin-8-yl)methylamino]propanoate?
The canonical SMILES for ethyl 2-[(5-chloroquinolin-8-yl)methylamino]propanoate is CCOC(=O)C(C)NCc1ccc(Cl)c2cccnc12.
What is the InChIKey of ethyl 2-[(5-chloroquinolin-8-yl)methylamino]propanoate?
The InChIKey is FCNZPZCIRNKRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-3-20-15(19)10(2)18-9-11-6-7-13(16)12-5-4-8-17-14(11)12/h4-8,10,18H,3,9H2,1-2H3.
What are the key properties of ethyl 2-[(5-chloroquinolin-8-yl)methylamino]propanoate?
ethyl 2-[(5-chloroquinolin-8-yl)methylamino]propanoate has a molecular weight of 292.77 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-chloroquinolin-8-yl)methylamino]propanoate is sourced from PubChem (CID 115959237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).