ethyl 2-[(5-chloroquinolin-8-yl)oxycarbonylamino]acetate

C14H13ClN2O4 — CID 13338827

IUPACethyl 2-[(5-chloroquinolin-8-yl)oxycarbonylamino]acetate
SMILESCCOC(=O)CNC(=O)Oc1ccc(Cl)c2cccnc12
InChIInChI=1S/C14H13ClN2O4/c1-2-20-12(18)8-17-14(19)21-11-6-5-10(15)9-4-3-7-16-13(9)11/h3-7H,2,8H2,1H3,(H,17,19)
InChIKeyXPYWNWNKXBGQEM-UHFFFAOYSA-N
MW308.72 g/mol
LogP2.54
Rot. Bonds4

About ethyl 2-[(5-chloroquinolin-8-yl)oxycarbonylamino]acetate

ethyl 2-[(5-chloroquinolin-8-yl)oxycarbonylamino]acetate (PubChem CID 13338827) has the molecular formula C14H13ClN2O4 and a molecular weight of 308.72 g/mol. Its IUPAC name is ethyl 2-[(5-chloroquinolin-8-yl)oxycarbonylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-chloroquinolin-8-yl)oxycarbonylamino]acetate
PubChem CID13338827
Molecular FormulaC14H13ClN2O4
Molecular Weight308.72 g/mol
Exact Mass308.06
IUPAC Nameethyl 2-[(5-chloroquinolin-8-yl)oxycarbonylamino]acetate
SMILESCCOC(=O)CNC(=O)Oc1ccc(Cl)c2cccnc12
InChIInChI=1S/C14H13ClN2O4/c1-2-20-12(18)8-17-14(19)21-11-6-5-10(15)9-4-3-7-16-13(9)11/h3-7H,2,8H2,1H3,(H,17,19)
InChIKeyXPYWNWNKXBGQEM-UHFFFAOYSA-N
XLogP2.54
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-chloroquinolin-8-yl) N,N-diethylcarbamate
CID 712597
methyl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 15257198
ethyl 3-(5-chloroquinolin-8-yl)peroxy-2-methyl-3-oxopropanoate
CID 91373215
(5-chloroquinolin-8-yl) pyridin-1-ium-4-carboxylate
CID 4741373
[[1-amino-2-(5-chloroquinolin-8-yl)oxyethylidene]amino] propanoate
CID 71320054
ethyl 4-(5-chloroquinolin-8-yl)-4-hydroxybutanoate
CID 115960222
2-(5-chloroquinolin-8-yl)oxy-N-(3-ethoxypropyl)acetamide
CID 51172402
2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-3-methylpentanamide
CID 3865457
(5-chloroquinolin-8-yl) 3-methylbenzoate
CID 751736
butyl 2-[(5-chloroquinolin-8-yl)amino]acetate
CID 116783881
2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide
CID 119505408
propan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 19390515

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-chloroquinolin-8-yl)oxycarbonylamino]acetate?
The IUPAC name of ethyl 2-[(5-chloroquinolin-8-yl)oxycarbonylamino]acetate (CID 13338827) is ethyl 2-[(5-chloroquinolin-8-yl)oxycarbonylamino]acetate.
What is the SMILES notation for ethyl 2-[(5-chloroquinolin-8-yl)oxycarbonylamino]acetate?
The canonical SMILES for ethyl 2-[(5-chloroquinolin-8-yl)oxycarbonylamino]acetate is CCOC(=O)CNC(=O)Oc1ccc(Cl)c2cccnc12.
What is the InChIKey of ethyl 2-[(5-chloroquinolin-8-yl)oxycarbonylamino]acetate?
The InChIKey is XPYWNWNKXBGQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O4/c1-2-20-12(18)8-17-14(19)21-11-6-5-10(15)9-4-3-7-16-13(9)11/h3-7H,2,8H2,1H3,(H,17,19).
What are the key properties of ethyl 2-[(5-chloroquinolin-8-yl)oxycarbonylamino]acetate?
ethyl 2-[(5-chloroquinolin-8-yl)oxycarbonylamino]acetate has a molecular weight of 308.72 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-chloroquinolin-8-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 13338827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).