2-[2-[(2-methylquinolin-8-yl)amino]-2-oxoethoxy]acetic acid

C14H14N2O4 — CID 62954623

IUPAC2-[2-[(2-methylquinolin-8-yl)amino]-2-oxoethoxy]acetic acid
SMILESCc1ccc2cccc(NC(=O)COCC(=O)O)c2n1
InChIInChI=1S/C14H14N2O4/c1-9-5-6-10-3-2-4-11(14(10)15-9)16-12(17)7-20-8-13(18)19/h2-6H,7-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyAGJOPPCLRNMVFF-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.58
Rot. Bonds5

About 2-[2-[(2-methylquinolin-8-yl)amino]-2-oxoethoxy]acetic acid

2-[2-[(2-methylquinolin-8-yl)amino]-2-oxoethoxy]acetic acid (PubChem CID 62954623) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[2-[(2-methylquinolin-8-yl)amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-methylquinolin-8-yl)amino]-2-oxoethoxy]acetic acid
PubChem CID62954623
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name2-[2-[(2-methylquinolin-8-yl)amino]-2-oxoethoxy]acetic acid
SMILESCc1ccc2cccc(NC(=O)COCC(=O)O)c2n1
InChIInChI=1S/C14H14N2O4/c1-9-5-6-10-3-2-4-11(14(10)15-9)16-12(17)7-20-8-13(18)19/h2-6H,7-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyAGJOPPCLRNMVFF-UHFFFAOYSA-N
XLogP1.58
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-(2-methylquinolin-8-yl)acetamide
CID 62999446
3-[(2-methylquinolin-8-yl)amino]-3-oxopropanoic acid
CID 62953963
2-(4-methoxyphenoxy)-N-(2-methylquinolin-8-yl)acetamide
CID 17010763
2-amino-N-(2-methylquinolin-8-yl)acetamide
CID 62952419
2-(2-methoxyphenoxy)-N-(2-methylquinolin-8-yl)acetamide
CID 17012818
2-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethoxy]acetic acid
CID 1431338
3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide
CID 110734160
4-hydroxy-N-(2-methylquinolin-8-yl)butanamide
CID 79192493
3-(methylamino)-N-(2-methylquinolin-8-yl)propanamide
CID 55152509
2-(4-fluorophenyl)-N-(2-methylquinolin-8-yl)acetamide
CID 110734154
methyl 2-[(2-methylquinolin-8-yl)amino]-2-oxoacetate
CID 112617186
N-(2-methylquinolin-8-yl)-3-(propan-2-ylamino)propanamide
CID 62954985

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylquinolin-8-yl)amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(2-methylquinolin-8-yl)amino]-2-oxoethoxy]acetic acid (CID 62954623) is 2-[2-[(2-methylquinolin-8-yl)amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(2-methylquinolin-8-yl)amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(2-methylquinolin-8-yl)amino]-2-oxoethoxy]acetic acid is Cc1ccc2cccc(NC(=O)COCC(=O)O)c2n1.
What is the InChIKey of 2-[2-[(2-methylquinolin-8-yl)amino]-2-oxoethoxy]acetic acid?
The InChIKey is AGJOPPCLRNMVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-9-5-6-10-3-2-4-11(14(10)15-9)16-12(17)7-20-8-13(18)19/h2-6H,7-8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[2-[(2-methylquinolin-8-yl)amino]-2-oxoethoxy]acetic acid?
2-[2-[(2-methylquinolin-8-yl)amino]-2-oxoethoxy]acetic acid has a molecular weight of 274.28 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylquinolin-8-yl)amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 62954623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).