methyl 2-(5-chloroquinolin-8-yl)-2-(prop-2-enylamino)acetate

C15H15ClN2O2 — CID 115959645

IUPACmethyl 2-(5-chloroquinolin-8-yl)-2-(prop-2-enylamino)acetate
SMILESC=CCNC(C(=O)OC)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H15ClN2O2/c1-3-8-17-14(15(19)20-2)11-6-7-12(16)10-5-4-9-18-13(10)11/h3-7,9,14,17H,1,8H2,2H3
InChIKeyXKESXPRJLFYBQR-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.88
Rot. Bonds5

About methyl 2-(5-chloroquinolin-8-yl)-2-(prop-2-enylamino)acetate

methyl 2-(5-chloroquinolin-8-yl)-2-(prop-2-enylamino)acetate (PubChem CID 115959645) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is methyl 2-(5-chloroquinolin-8-yl)-2-(prop-2-enylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(5-chloroquinolin-8-yl)-2-(prop-2-enylamino)acetate
PubChem CID115959645
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Namemethyl 2-(5-chloroquinolin-8-yl)-2-(prop-2-enylamino)acetate
SMILESC=CCNC(C(=O)OC)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H15ClN2O2/c1-3-8-17-14(15(19)20-2)11-6-7-12(16)10-5-4-9-18-13(10)11/h3-7,9,14,17H,1,8H2,2H3
InChIKeyXKESXPRJLFYBQR-UHFFFAOYSA-N
XLogP2.88
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(5-chloroquinolin-8-yl)-3-hydroxy-2-methylpropanoate
CID 112618441
2-(5-chloroquinolin-8-yl)-2-(2-methoxyethylamino)acetamide
CID 115959599
methyl (3S)-3-amino-3-(5-chloroquinolin-8-yl)propanoate
CID 113355755
methyl (3R)-3-amino-3-(5-chloroquinolin-8-yl)propanoate
CID 103940787
4-prop-2-enoxybutyl 2-(5-chloroquinolin-8-yl)-2-hydroxyacetate
CID 174555458
methyl 3-(5-chloroquinolin-8-yl)-3-(propylamino)propanoate
CID 115960570
methyl 2-phenyl-2-(prop-2-enylamino)acetate
CID 21300031
1-(5-chloroquinolin-8-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 112617875
1-(5-chloroquinolin-8-yl)-N-ethylethane-1,2-diamine
CID 112617871
4-amino-3-(5-chloroquinolin-8-yl)pentanoic acid
CID 112618653
ethyl 4-(5-chloroquinolin-8-yl)-4-hydroxybutanoate
CID 115960222
2-(5-chloroquinolin-8-yl)-2-(2,2-dimethylhydrazinyl)ethanamine
CID 112617884

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-chloroquinolin-8-yl)-2-(prop-2-enylamino)acetate?
The IUPAC name of methyl 2-(5-chloroquinolin-8-yl)-2-(prop-2-enylamino)acetate (CID 115959645) is methyl 2-(5-chloroquinolin-8-yl)-2-(prop-2-enylamino)acetate.
What is the SMILES notation for methyl 2-(5-chloroquinolin-8-yl)-2-(prop-2-enylamino)acetate?
The canonical SMILES for methyl 2-(5-chloroquinolin-8-yl)-2-(prop-2-enylamino)acetate is C=CCNC(C(=O)OC)c1ccc(Cl)c2cccnc12.
What is the InChIKey of methyl 2-(5-chloroquinolin-8-yl)-2-(prop-2-enylamino)acetate?
The InChIKey is XKESXPRJLFYBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-3-8-17-14(15(19)20-2)11-6-7-12(16)10-5-4-9-18-13(10)11/h3-7,9,14,17H,1,8H2,2H3.
What are the key properties of methyl 2-(5-chloroquinolin-8-yl)-2-(prop-2-enylamino)acetate?
methyl 2-(5-chloroquinolin-8-yl)-2-(prop-2-enylamino)acetate has a molecular weight of 290.75 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-chloroquinolin-8-yl)-2-(prop-2-enylamino)acetate is sourced from PubChem (CID 115959645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).