2-[(8-methoxy-3-methylquinolin-4-yl)-methylamino]acetic acid

C14H16N2O3 — CID 122052173

IUPAC2-[(8-methoxy-3-methylquinolin-4-yl)-methylamino]acetic acid
SMILESCOc1cccc2c(N(C)CC(=O)O)c(C)cnc12
InChIInChI=1S/C14H16N2O3/c1-9-7-15-13-10(5-4-6-11(13)19-3)14(9)16(2)8-12(17)18/h4-7H,8H2,1-3H3,(H,17,18)
InChIKeyXWVINHLCFUNQHJ-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.07
Rot. Bonds4

About 2-[(8-methoxy-3-methylquinolin-4-yl)-methylamino]acetic acid

2-[(8-methoxy-3-methylquinolin-4-yl)-methylamino]acetic acid (PubChem CID 122052173) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[(8-methoxy-3-methylquinolin-4-yl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(8-methoxy-3-methylquinolin-4-yl)-methylamino]acetic acid
PubChem CID122052173
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-[(8-methoxy-3-methylquinolin-4-yl)-methylamino]acetic acid
SMILESCOc1cccc2c(N(C)CC(=O)O)c(C)cnc12
InChIInChI=1S/C14H16N2O3/c1-9-7-15-13-10(5-4-6-11(13)19-3)14(9)16(2)8-12(17)18/h4-7H,8H2,1-3H3,(H,17,18)
InChIKeyXWVINHLCFUNQHJ-UHFFFAOYSA-N
XLogP2.07
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-methoxyisoquinolin-1-yl)-methylamino]acetic acid
CID 82571004
2-[methyl-(4-methylisoquinolin-1-yl)amino]acetic acid
CID 82571341
4-chloro-8-methoxyquinoline-3-carboxylic acid;hydrochloride
CID 67617550
1-(8-methoxy-3-methylquinolin-4-yl)-5-methylpiperidine-3-carboxylic acid
CID 122106571
8-methoxyquinazoline-4-carboxylic acid
CID 105455920
8-methoxy-4-pyrrolidin-1-ylquinoline-3-carboxylic acid
CID 39732432
ethyl 8-methoxy-4-(1-phenylethylamino)quinoline-3-carboxylate;hydrate
CID 20529010
N-[1-(8-methoxy-3-methylquinolin-4-yl)piperidin-3-yl]propanamide
CID 119044389
ethyl 8-methoxy-4-[4-(2-methoxyphenyl)phenyl]quinoline-3-carboxylate
CID 162662540
4-[(5-methoxyisoquinolin-1-yl)-methylamino]butanoic acid
CID 106535941
ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate
CID 13038439
ethyl 8-methoxy-4-[4-(2-methylphenyl)piperazin-1-yl]quinoline-3-carboxylate
CID 162647102

Frequently Asked Questions

What is the IUPAC name of 2-[(8-methoxy-3-methylquinolin-4-yl)-methylamino]acetic acid?
The IUPAC name of 2-[(8-methoxy-3-methylquinolin-4-yl)-methylamino]acetic acid (CID 122052173) is 2-[(8-methoxy-3-methylquinolin-4-yl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(8-methoxy-3-methylquinolin-4-yl)-methylamino]acetic acid?
The canonical SMILES for 2-[(8-methoxy-3-methylquinolin-4-yl)-methylamino]acetic acid is COc1cccc2c(N(C)CC(=O)O)c(C)cnc12.
What is the InChIKey of 2-[(8-methoxy-3-methylquinolin-4-yl)-methylamino]acetic acid?
The InChIKey is XWVINHLCFUNQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9-7-15-13-10(5-4-6-11(13)19-3)14(9)16(2)8-12(17)18/h4-7H,8H2,1-3H3,(H,17,18).
What are the key properties of 2-[(8-methoxy-3-methylquinolin-4-yl)-methylamino]acetic acid?
2-[(8-methoxy-3-methylquinolin-4-yl)-methylamino]acetic acid has a molecular weight of 260.29 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-methoxy-3-methylquinolin-4-yl)-methylamino]acetic acid is sourced from PubChem (CID 122052173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).