2-[4-(2-hydroxyethylamino)-2-methylquinolin-3-yl]acetic acid

C14H16N2O3 — CID 110432578

IUPAC2-[4-(2-hydroxyethylamino)-2-methylquinolin-3-yl]acetic acid
SMILESCc1nc2ccccc2c(NCCO)c1CC(=O)O
InChIInChI=1S/C14H16N2O3/c1-9-11(8-13(18)19)14(15-6-7-17)10-4-2-3-5-12(10)16-9/h2-5,17H,6-8H2,1H3,(H,15,16)(H,18,19)
InChIKeyGVUVSDALCBQQCW-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.57
Rot. Bonds5

About 2-[4-(2-hydroxyethylamino)-2-methylquinolin-3-yl]acetic acid

2-[4-(2-hydroxyethylamino)-2-methylquinolin-3-yl]acetic acid (PubChem CID 110432578) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethylamino)-2-methylquinolin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-hydroxyethylamino)-2-methylquinolin-3-yl]acetic acid
PubChem CID110432578
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-[4-(2-hydroxyethylamino)-2-methylquinolin-3-yl]acetic acid
SMILESCc1nc2ccccc2c(NCCO)c1CC(=O)O
InChIInChI=1S/C14H16N2O3/c1-9-11(8-13(18)19)14(15-6-7-17)10-4-2-3-5-12(10)16-9/h2-5,17H,6-8H2,1H3,(H,15,16)(H,18,19)
InChIKeyGVUVSDALCBQQCW-UHFFFAOYSA-N
XLogP1.57
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethylamino)-2-methylquinolin-3-yl]acetic acid?
The IUPAC name of 2-[4-(2-hydroxyethylamino)-2-methylquinolin-3-yl]acetic acid (CID 110432578) is 2-[4-(2-hydroxyethylamino)-2-methylquinolin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-hydroxyethylamino)-2-methylquinolin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(2-hydroxyethylamino)-2-methylquinolin-3-yl]acetic acid is Cc1nc2ccccc2c(NCCO)c1CC(=O)O.
What is the InChIKey of 2-[4-(2-hydroxyethylamino)-2-methylquinolin-3-yl]acetic acid?
The InChIKey is GVUVSDALCBQQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9-11(8-13(18)19)14(15-6-7-17)10-4-2-3-5-12(10)16-9/h2-5,17H,6-8H2,1H3,(H,15,16)(H,18,19).
What are the key properties of 2-[4-(2-hydroxyethylamino)-2-methylquinolin-3-yl]acetic acid?
2-[4-(2-hydroxyethylamino)-2-methylquinolin-3-yl]acetic acid has a molecular weight of 260.29 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethylamino)-2-methylquinolin-3-yl]acetic acid is sourced from PubChem (CID 110432578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).