ethyl 2-(quinolin-4-ylmethylamino)acetate

C14H16N2O2 — CID 55251513

IUPACethyl 2-(quinolin-4-ylmethylamino)acetate
SMILESCCOC(=O)CNCc1ccnc2ccccc12
InChIInChI=1S/C14H16N2O2/c1-2-18-14(17)10-15-9-11-7-8-16-13-6-4-3-5-12(11)13/h3-8,15H,2,9-10H2,1H3
InChIKeyDPACBYCSXKBORX-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.89
Rot. Bonds5

About ethyl 2-(quinolin-4-ylmethylamino)acetate

ethyl 2-(quinolin-4-ylmethylamino)acetate (PubChem CID 55251513) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl 2-(quinolin-4-ylmethylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(quinolin-4-ylmethylamino)acetate
PubChem CID55251513
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Nameethyl 2-(quinolin-4-ylmethylamino)acetate
SMILESCCOC(=O)CNCc1ccnc2ccccc12
InChIInChI=1S/C14H16N2O2/c1-2-18-14(17)10-15-9-11-7-8-16-13-6-4-3-5-12(11)13/h3-8,15H,2,9-10H2,1H3
InChIKeyDPACBYCSXKBORX-UHFFFAOYSA-N
XLogP1.89
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-(quinolin-4-ylmethylamino)acetamide
CID 63850713
N-(quinolin-4-ylmethyl)ethanamine
CID 58978367
methyl 4-(quinolin-4-ylmethylamino)butanoate
CID 63867501
ethyl 2-(isoquinolin-5-ylmethylamino)acetate
CID 62824255
ethyl 2-[(2-carbamoylphenyl)methylamino]acetate
CID 60812400
ethyl 2-[[2-(ethoxymethyl)phenyl]methylamino]acetate
CID 60923273
methyl 2-(quinolin-4-ylmethylamino)propanoate
CID 55251614
2-methyl-2-(quinolin-4-ylmethylamino)butanoic acid
CID 79791371
ethyl 3-[(2-methylquinolin-4-yl)methylamino]propanoate
CID 79235448
2-methoxy-N-(quinolin-4-ylmethyl)ethanamine
CID 62543983
ethyl 2-(benzylamino)acetate;oxalic acid
CID 17052843
1-cyclobutyl-N-(quinolin-4-ylmethyl)methanamine
CID 63850221

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(quinolin-4-ylmethylamino)acetate?
The IUPAC name of ethyl 2-(quinolin-4-ylmethylamino)acetate (CID 55251513) is ethyl 2-(quinolin-4-ylmethylamino)acetate.
What is the SMILES notation for ethyl 2-(quinolin-4-ylmethylamino)acetate?
The canonical SMILES for ethyl 2-(quinolin-4-ylmethylamino)acetate is CCOC(=O)CNCc1ccnc2ccccc12.
What is the InChIKey of ethyl 2-(quinolin-4-ylmethylamino)acetate?
The InChIKey is DPACBYCSXKBORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-18-14(17)10-15-9-11-7-8-16-13-6-4-3-5-12(11)13/h3-8,15H,2,9-10H2,1H3.
What are the key properties of ethyl 2-(quinolin-4-ylmethylamino)acetate?
ethyl 2-(quinolin-4-ylmethylamino)acetate has a molecular weight of 244.29 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(quinolin-4-ylmethylamino)acetate is sourced from PubChem (CID 55251513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).