ethyl 2-[propan-2-yl(quinolin-2-ylmethyl)amino]acetate

C17H22N2O2 — CID 62027380

IUPACethyl 2-[propan-2-yl(quinolin-2-ylmethyl)amino]acetate
SMILESCCOC(=O)CN(Cc1ccc2ccccc2n1)C(C)C
InChIInChI=1S/C17H22N2O2/c1-4-21-17(20)12-19(13(2)3)11-15-10-9-14-7-5-6-8-16(14)18-15/h5-10,13H,4,11-12H2,1-3H3
InChIKeyVPKWJIWHNDPMML-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.01
Rot. Bonds6

About ethyl 2-[propan-2-yl(quinolin-2-ylmethyl)amino]acetate

ethyl 2-[propan-2-yl(quinolin-2-ylmethyl)amino]acetate (PubChem CID 62027380) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is ethyl 2-[propan-2-yl(quinolin-2-ylmethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[propan-2-yl(quinolin-2-ylmethyl)amino]acetate
PubChem CID62027380
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Nameethyl 2-[propan-2-yl(quinolin-2-ylmethyl)amino]acetate
SMILESCCOC(=O)CN(Cc1ccc2ccccc2n1)C(C)C
InChIInChI=1S/C17H22N2O2/c1-4-21-17(20)12-19(13(2)3)11-15-10-9-14-7-5-6-8-16(14)18-15/h5-10,13H,4,11-12H2,1-3H3
InChIKeyVPKWJIWHNDPMML-UHFFFAOYSA-N
XLogP3.01
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(6-methoxy-2-pyridinyl)methyl-propan-2-ylamino]acetate
CID 63985132
ethyl 2-[cyclopropyl(quinolin-2-ylmethyl)amino]acetate
CID 62028143
ethyl 2-[(3-methoxyphenyl)sulfonyl-(quinolin-2-ylmethyl)amino]acetate
CID 67707635
ethyl 2-methyl-3-quinolin-2-ylpropanoate
CID 59134939
ethyl 2-[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetate
CID 112550243
ethyl 2-amino-3-quinolin-2-ylpropanoate
CID 5002488
ethyl 2-[(4-ethylphenyl)methyl-propan-2-ylamino]acetate
CID 62028710
ethyl 2-[propan-2-yl(pyridin-4-ylmethyl)amino]acetate
CID 62026995
N-propan-2-yl-N-(quinolin-2-ylmethyl)propan-2-amine
CID 20687195
ethyl 2-[propan-2-yl(quinazolin-2-yl)amino]acetate
CID 114789698
ethyl 2-[[2-(aminomethyl)-3-pyridinyl]methyl-propan-2-ylamino]acetate
CID 63383170
ethyl 3-amino-3-quinolin-2-ylpropanoate
CID 64955956

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[propan-2-yl(quinolin-2-ylmethyl)amino]acetate?
The IUPAC name of ethyl 2-[propan-2-yl(quinolin-2-ylmethyl)amino]acetate (CID 62027380) is ethyl 2-[propan-2-yl(quinolin-2-ylmethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[propan-2-yl(quinolin-2-ylmethyl)amino]acetate?
The canonical SMILES for ethyl 2-[propan-2-yl(quinolin-2-ylmethyl)amino]acetate is CCOC(=O)CN(Cc1ccc2ccccc2n1)C(C)C.
What is the InChIKey of ethyl 2-[propan-2-yl(quinolin-2-ylmethyl)amino]acetate?
The InChIKey is VPKWJIWHNDPMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-21-17(20)12-19(13(2)3)11-15-10-9-14-7-5-6-8-16(14)18-15/h5-10,13H,4,11-12H2,1-3H3.
What are the key properties of ethyl 2-[propan-2-yl(quinolin-2-ylmethyl)amino]acetate?
ethyl 2-[propan-2-yl(quinolin-2-ylmethyl)amino]acetate has a molecular weight of 286.38 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[propan-2-yl(quinolin-2-ylmethyl)amino]acetate is sourced from PubChem (CID 62027380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).