2-[(2-chloro-7-methylquinolin-3-yl)methyl-methylamino]acetic acid

C14H15ClN2O2 — CID 43442466

IUPAC2-[(2-chloro-7-methylquinolin-3-yl)methyl-methylamino]acetic acid
SMILESCc1ccc2cc(CN(C)CC(=O)O)c(Cl)nc2c1
InChIInChI=1S/C14H15ClN2O2/c1-9-3-4-10-6-11(7-17(2)8-13(18)19)14(15)16-12(10)5-9/h3-6H,7-8H2,1-2H3,(H,18,19)
InChIKeyBZBTXMSQTSGIGV-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.71
Rot. Bonds4

About 2-[(2-chloro-7-methylquinolin-3-yl)methyl-methylamino]acetic acid

2-[(2-chloro-7-methylquinolin-3-yl)methyl-methylamino]acetic acid (PubChem CID 43442466) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-[(2-chloro-7-methylquinolin-3-yl)methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-chloro-7-methylquinolin-3-yl)methyl-methylamino]acetic acid
PubChem CID43442466
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name2-[(2-chloro-7-methylquinolin-3-yl)methyl-methylamino]acetic acid
SMILESCc1ccc2cc(CN(C)CC(=O)O)c(Cl)nc2c1
InChIInChI=1S/C14H15ClN2O2/c1-9-3-4-10-6-11(7-17(2)8-13(18)19)14(15)16-12(10)5-9/h3-6H,7-8H2,1-2H3,(H,18,19)
InChIKeyBZBTXMSQTSGIGV-UHFFFAOYSA-N
XLogP2.71
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-7-methylquinolin-3-yl)methyl-methylamino]acetic acid?
The IUPAC name of 2-[(2-chloro-7-methylquinolin-3-yl)methyl-methylamino]acetic acid (CID 43442466) is 2-[(2-chloro-7-methylquinolin-3-yl)methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(2-chloro-7-methylquinolin-3-yl)methyl-methylamino]acetic acid?
The canonical SMILES for 2-[(2-chloro-7-methylquinolin-3-yl)methyl-methylamino]acetic acid is Cc1ccc2cc(CN(C)CC(=O)O)c(Cl)nc2c1.
What is the InChIKey of 2-[(2-chloro-7-methylquinolin-3-yl)methyl-methylamino]acetic acid?
The InChIKey is BZBTXMSQTSGIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-9-3-4-10-6-11(7-17(2)8-13(18)19)14(15)16-12(10)5-9/h3-6H,7-8H2,1-2H3,(H,18,19).
What are the key properties of 2-[(2-chloro-7-methylquinolin-3-yl)methyl-methylamino]acetic acid?
2-[(2-chloro-7-methylquinolin-3-yl)methyl-methylamino]acetic acid has a molecular weight of 278.74 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-7-methylquinolin-3-yl)methyl-methylamino]acetic acid is sourced from PubChem (CID 43442466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).