2-[(2-methoxy-2-oxoethyl)-quinolin-8-ylamino]acetic acid

C14H14N2O4 — CID 59772112

IUPAC2-[(2-methoxy-2-oxoethyl)-quinolin-8-ylamino]acetic acid
SMILESCOC(=O)CN(CC(=O)O)c1cccc2cccnc12
InChIInChI=1S/C14H14N2O4/c1-20-13(19)9-16(8-12(17)18)11-6-2-4-10-5-3-7-15-14(10)11/h2-7H,8-9H2,1H3,(H,17,18)
InChIKeySPQYDVDMNPTPLA-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.30
Rot. Bonds5

About 2-[(2-methoxy-2-oxoethyl)-quinolin-8-ylamino]acetic acid

2-[(2-methoxy-2-oxoethyl)-quinolin-8-ylamino]acetic acid (PubChem CID 59772112) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[(2-methoxy-2-oxoethyl)-quinolin-8-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-methoxy-2-oxoethyl)-quinolin-8-ylamino]acetic acid
PubChem CID59772112
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name2-[(2-methoxy-2-oxoethyl)-quinolin-8-ylamino]acetic acid
SMILESCOC(=O)CN(CC(=O)O)c1cccc2cccnc12
InChIInChI=1S/C14H14N2O4/c1-20-13(19)9-16(8-12(17)18)11-6-2-4-10-5-3-7-15-14(10)11/h2-7H,8-9H2,1H3,(H,17,18)
InChIKeySPQYDVDMNPTPLA-UHFFFAOYSA-N
XLogP1.30
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]-N-(2-methoxy-2-oxoethyl)anilino]acetate
CID 70130679
2-[methyl(quinolin-8-yloxycarbonyl)amino]acetic acid
CID 116819580
methyl 3-[methyl(quinolin-8-ylmethyl)amino]propanoate
CID 62010696
methyl 2-[(6-fluoroquinolin-8-yl)methyl-methylamino]acetate
CID 60970098
methyl N-[2-[acetyl(quinolin-8-yl)amino]ethyl]carbamate
CID 113063198
methyl 4-oxo-4-(quinolin-8-ylamino)butanoate
CID 47150813
3-[methyl(quinolin-8-ylmethyl)amino]propanoic acid
CID 60987011
2-[(3-hydroxypyridine-2-carbonyl)-methylamino]acetic acid;methyl 2-[(3-hydroxypyridine-2-carbonyl)-methylamino]acetate
CID 159109262
2-[2-[bis(carboxymethyl)amino]-N-(carboxymethyl)anilino]acetic acid;ethane
CID 90830010
N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]acetamide
CID 113071737
N'-ethyl-N'-quinolin-8-ylethane-1,2-diamine
CID 114900586
methyl 4-amino-3-quinolin-8-ylbutanoate
CID 66098918

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-2-oxoethyl)-quinolin-8-ylamino]acetic acid?
The IUPAC name of 2-[(2-methoxy-2-oxoethyl)-quinolin-8-ylamino]acetic acid (CID 59772112) is 2-[(2-methoxy-2-oxoethyl)-quinolin-8-ylamino]acetic acid.
What is the SMILES notation for 2-[(2-methoxy-2-oxoethyl)-quinolin-8-ylamino]acetic acid?
The canonical SMILES for 2-[(2-methoxy-2-oxoethyl)-quinolin-8-ylamino]acetic acid is COC(=O)CN(CC(=O)O)c1cccc2cccnc12.
What is the InChIKey of 2-[(2-methoxy-2-oxoethyl)-quinolin-8-ylamino]acetic acid?
The InChIKey is SPQYDVDMNPTPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-20-13(19)9-16(8-12(17)18)11-6-2-4-10-5-3-7-15-14(10)11/h2-7H,8-9H2,1H3,(H,17,18).
What are the key properties of 2-[(2-methoxy-2-oxoethyl)-quinolin-8-ylamino]acetic acid?
2-[(2-methoxy-2-oxoethyl)-quinolin-8-ylamino]acetic acid has a molecular weight of 274.28 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-2-oxoethyl)-quinolin-8-ylamino]acetic acid is sourced from PubChem (CID 59772112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).