ethyl 2-[(8-methoxyquinoline-5-carbonyl)-methylamino]acetate

C16H18N2O4 — CID 10470169

IUPACethyl 2-[(8-methoxyquinoline-5-carbonyl)-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)c1ccc(OC)c2ncccc12
InChIInChI=1S/C16H18N2O4/c1-4-22-14(19)10-18(2)16(20)12-7-8-13(21-3)15-11(12)6-5-9-17-15/h5-9H,4,10H2,1-3H3
InChIKeyXDECSSKGWXWBOS-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.88
Rot. Bonds5

About ethyl 2-[(8-methoxyquinoline-5-carbonyl)-methylamino]acetate

ethyl 2-[(8-methoxyquinoline-5-carbonyl)-methylamino]acetate (PubChem CID 10470169) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is ethyl 2-[(8-methoxyquinoline-5-carbonyl)-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(8-methoxyquinoline-5-carbonyl)-methylamino]acetate
PubChem CID10470169
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Nameethyl 2-[(8-methoxyquinoline-5-carbonyl)-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)c1ccc(OC)c2ncccc12
InChIInChI=1S/C16H18N2O4/c1-4-22-14(19)10-18(2)16(20)12-7-8-13(21-3)15-11(12)6-5-9-17-15/h5-9H,4,10H2,1-3H3
InChIKeyXDECSSKGWXWBOS-UHFFFAOYSA-N
XLogP1.88
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-ethoxyquinoline-5-carbohydrazide
CID 84613958
(E)-4-(8-methoxyquinolin-5-yl)-4-oxobut-2-enoic acid
CID 93193155
methyl 3-(8-methoxyquinolin-5-yl)-2-methyl-3-oxopropanoate
CID 59335917
ethyl 2-[(2-hydroxybenzoyl)-methylamino]acetate
CID 60584835
ethyl 2-[methyl-(2-methylbenzoyl)amino]acetate
CID 54785112
ethyl 8-butoxyquinoline-5-carboxylate
CID 96709879
ethyl 2-[(2-bromobenzoyl)-methylamino]acetate
CID 54982790
N-[(8-methoxyquinolin-5-yl)methyl]-N,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 74242304
ethyl 2-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]acetate
CID 54785153
2-ethyl-N-[(8-methoxyquinolin-5-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide
CID 77089417
1-[(8-methoxyquinolin-5-yl)methyl]-1-methyl-3-[(2S)-2-methylbutyl]urea
CID 126435880
8-methoxy-N,N-dimethylquinolin-5-amine
CID 67991214

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(8-methoxyquinoline-5-carbonyl)-methylamino]acetate?
The IUPAC name of ethyl 2-[(8-methoxyquinoline-5-carbonyl)-methylamino]acetate (CID 10470169) is ethyl 2-[(8-methoxyquinoline-5-carbonyl)-methylamino]acetate.
What is the SMILES notation for ethyl 2-[(8-methoxyquinoline-5-carbonyl)-methylamino]acetate?
The canonical SMILES for ethyl 2-[(8-methoxyquinoline-5-carbonyl)-methylamino]acetate is CCOC(=O)CN(C)C(=O)c1ccc(OC)c2ncccc12.
What is the InChIKey of ethyl 2-[(8-methoxyquinoline-5-carbonyl)-methylamino]acetate?
The InChIKey is XDECSSKGWXWBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-4-22-14(19)10-18(2)16(20)12-7-8-13(21-3)15-11(12)6-5-9-17-15/h5-9H,4,10H2,1-3H3.
What are the key properties of ethyl 2-[(8-methoxyquinoline-5-carbonyl)-methylamino]acetate?
ethyl 2-[(8-methoxyquinoline-5-carbonyl)-methylamino]acetate has a molecular weight of 302.33 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(8-methoxyquinoline-5-carbonyl)-methylamino]acetate is sourced from PubChem (CID 10470169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).