2-[2-[(6-chloro-8-methylquinolin-5-yl)amino]-2-oxoethoxy]acetic acid

C14H13ClN2O4 — CID 61329018

IUPAC2-[2-[(6-chloro-8-methylquinolin-5-yl)amino]-2-oxoethoxy]acetic acid
SMILESCc1cc(Cl)c(NC(=O)COCC(=O)O)c2cccnc12
InChIInChI=1S/C14H13ClN2O4/c1-8-5-10(15)14(9-3-2-4-16-13(8)9)17-11(18)6-21-7-12(19)20/h2-5H,6-7H2,1H3,(H,17,18)(H,19,20)
InChIKeyGPXNRJWYVQEIJA-UHFFFAOYSA-N
MW308.72 g/mol
LogP2.24
Rot. Bonds5

About 2-[2-[(6-chloro-8-methylquinolin-5-yl)amino]-2-oxoethoxy]acetic acid

2-[2-[(6-chloro-8-methylquinolin-5-yl)amino]-2-oxoethoxy]acetic acid (PubChem CID 61329018) has the molecular formula C14H13ClN2O4 and a molecular weight of 308.72 g/mol. Its IUPAC name is 2-[2-[(6-chloro-8-methylquinolin-5-yl)amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(6-chloro-8-methylquinolin-5-yl)amino]-2-oxoethoxy]acetic acid
PubChem CID61329018
Molecular FormulaC14H13ClN2O4
Molecular Weight308.72 g/mol
Exact Mass308.06
IUPAC Name2-[2-[(6-chloro-8-methylquinolin-5-yl)amino]-2-oxoethoxy]acetic acid
SMILESCc1cc(Cl)c(NC(=O)COCC(=O)O)c2cccnc12
InChIInChI=1S/C14H13ClN2O4/c1-8-5-10(15)14(9-3-2-4-16-13(8)9)17-11(18)6-21-7-12(19)20/h2-5H,6-7H2,1H3,(H,17,18)(H,19,20)
InChIKeyGPXNRJWYVQEIJA-UHFFFAOYSA-N
XLogP2.24
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-8-methylquinolin-5-yl)-2-ethoxyacetamide
CID 60779334
2-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethoxy]acetic acid
CID 61328615
(2S)-2-amino-N-(6-chloro-8-methylquinolin-5-yl)butanamide
CID 79024943
2-bromo-N-(6-chloro-8-methylquinolin-5-yl)butanamide
CID 55126113
(2S)-2-amino-N-(6-chloro-8-methylquinolin-5-yl)-4-methylpentanamide
CID 61155650
4-amino-N-(6-chloro-8-methylquinolin-5-yl)-2-methylbutanamide
CID 80543358
N-(2-chloro-4,6-dimethylphenyl)-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 8716287
N-(6-chloro-8-methylquinolin-5-yl)-1,3-thiazole-4-carboxamide
CID 63047841
N-(6-chloro-8-methylquinolin-5-yl)-2,2,3,3-tetrafluoropropanamide
CID 103737695
2-(5-chloroquinolin-8-yl)oxy-N-(2,6-dimethylphenyl)acetamide
CID 8716363
2-[2-[(2-methyl-4-pyridinyl)amino]-2-oxoethoxy]acetic acid
CID 79235104
2-[2-oxo-2-(pyridin-2-ylamino)ethoxy]acetic acid
CID 2737830

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-chloro-8-methylquinolin-5-yl)amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(6-chloro-8-methylquinolin-5-yl)amino]-2-oxoethoxy]acetic acid (CID 61329018) is 2-[2-[(6-chloro-8-methylquinolin-5-yl)amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(6-chloro-8-methylquinolin-5-yl)amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(6-chloro-8-methylquinolin-5-yl)amino]-2-oxoethoxy]acetic acid is Cc1cc(Cl)c(NC(=O)COCC(=O)O)c2cccnc12.
What is the InChIKey of 2-[2-[(6-chloro-8-methylquinolin-5-yl)amino]-2-oxoethoxy]acetic acid?
The InChIKey is GPXNRJWYVQEIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O4/c1-8-5-10(15)14(9-3-2-4-16-13(8)9)17-11(18)6-21-7-12(19)20/h2-5H,6-7H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[2-[(6-chloro-8-methylquinolin-5-yl)amino]-2-oxoethoxy]acetic acid?
2-[2-[(6-chloro-8-methylquinolin-5-yl)amino]-2-oxoethoxy]acetic acid has a molecular weight of 308.72 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-chloro-8-methylquinolin-5-yl)amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61329018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).