ethyl 2-(2-methylquinolin-6-yl)-2-(prop-2-enylamino)acetate

C17H20N2O2 — CID 105378922

IUPACethyl 2-(2-methylquinolin-6-yl)-2-(prop-2-enylamino)acetate
SMILESC=CCNC(C(=O)OCC)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C17H20N2O2/c1-4-10-18-16(17(20)21-5-2)14-8-9-15-13(11-14)7-6-12(3)19-15/h4,6-9,11,16,18H,1,5,10H2,2-3H3
InChIKeyCXMAEIZUZPKJAQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.92
Rot. Bonds6

About ethyl 2-(2-methylquinolin-6-yl)-2-(prop-2-enylamino)acetate

ethyl 2-(2-methylquinolin-6-yl)-2-(prop-2-enylamino)acetate (PubChem CID 105378922) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is ethyl 2-(2-methylquinolin-6-yl)-2-(prop-2-enylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(2-methylquinolin-6-yl)-2-(prop-2-enylamino)acetate
PubChem CID105378922
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Nameethyl 2-(2-methylquinolin-6-yl)-2-(prop-2-enylamino)acetate
SMILESC=CCNC(C(=O)OCC)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C17H20N2O2/c1-4-10-18-16(17(20)21-5-2)14-8-9-15-13(11-14)7-6-12(3)19-15/h4,6-9,11,16,18H,1,5,10H2,2-3H3
InChIKeyCXMAEIZUZPKJAQ-UHFFFAOYSA-N
XLogP2.92
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.92
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

SB 218795
CID 6604858
Methyl N-(quinoline-2-carbonyl)-L-phenylalaninate
CID 9439964
Phenyl-[(2-phenyl-quinoline-4-carbonyl)-amino]-acetic acid methyl ester
CID 4529080
N-[(S)-alpha-(Methoxycarbonyl)benzyl]-2-phenylquinoline-4-carboxamide
CID 6604014
{[2-(2-Fluoro-phenyl)-quinoline-4-carbonyl]-amino}-phenyl-acetic acid methyl ester
CID 10136512
[(2-Cyclohexyl-quinoline-4-carbonyl)-amino]-phenyl-acetic acid methyl ester
CID 10272462
Phenyl-[(2-p-tolyl-quinoline-4-carbonyl)-amino]-acetic acid methyl ester
CID 10740312
[(6,7-Dihydro-5H-13-aza-benzo[3,4]cyclohepta[1,2-b]naphthalene-8-carbonyl)-amino]-phenyl-acetic acid methyl ester
CID 11797202
Phenyl-[(2-o-tolyl-quinoline-4-carbonyl)-amino]-acetic acid methyl ester
CID 10501724
3-Phenyl-2-[(2-phenyl-quinoline-4-carbonyl)-amino]-propionic acid methyl ester
CID 10716491
ethyl N-(1,2,3,4-tetrahydro-9-acridinylcarbonyl)glycinate
CID 2920016
Methyl 2,3,4,9-tetrahydro-1-methyl-1H-pyrido[3,4-b]indole-1-carboxylate
CID 149110

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methylquinolin-6-yl)-2-(prop-2-enylamino)acetate?
The IUPAC name of ethyl 2-(2-methylquinolin-6-yl)-2-(prop-2-enylamino)acetate (CID 105378922) is ethyl 2-(2-methylquinolin-6-yl)-2-(prop-2-enylamino)acetate.
What is the SMILES notation for ethyl 2-(2-methylquinolin-6-yl)-2-(prop-2-enylamino)acetate?
The canonical SMILES for ethyl 2-(2-methylquinolin-6-yl)-2-(prop-2-enylamino)acetate is C=CCNC(C(=O)OCC)c1ccc2nc(C)ccc2c1.
What is the InChIKey of ethyl 2-(2-methylquinolin-6-yl)-2-(prop-2-enylamino)acetate?
The InChIKey is CXMAEIZUZPKJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-4-10-18-16(17(20)21-5-2)14-8-9-15-13(11-14)7-6-12(3)19-15/h4,6-9,11,16,18H,1,5,10H2,2-3H3.
What are the key properties of ethyl 2-(2-methylquinolin-6-yl)-2-(prop-2-enylamino)acetate?
ethyl 2-(2-methylquinolin-6-yl)-2-(prop-2-enylamino)acetate has a molecular weight of 284.36 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methylquinolin-6-yl)-2-(prop-2-enylamino)acetate is sourced from PubChem (CID 105378922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).