2-[methyl-(6-methylquinolin-4-yl)amino]acetic acid

C13H14N2O2 — CID 83840395

IUPAC2-[methyl-(6-methylquinolin-4-yl)amino]acetic acid
SMILESCc1ccc2nccc(N(C)CC(=O)O)c2c1
InChIInChI=1S/C13H14N2O2/c1-9-3-4-11-10(7-9)12(5-6-14-11)15(2)8-13(16)17/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeyYJXDSMKYKNVBQT-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.06
Rot. Bonds3

About 2-[methyl-(6-methylquinolin-4-yl)amino]acetic acid

2-[methyl-(6-methylquinolin-4-yl)amino]acetic acid (PubChem CID 83840395) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-[methyl-(6-methylquinolin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(6-methylquinolin-4-yl)amino]acetic acid
PubChem CID83840395
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-[methyl-(6-methylquinolin-4-yl)amino]acetic acid
SMILESCc1ccc2nccc(N(C)CC(=O)O)c2c1
InChIInChI=1S/C13H14N2O2/c1-9-3-4-11-10(7-9)12(5-6-14-11)15(2)8-13(16)17/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeyYJXDSMKYKNVBQT-UHFFFAOYSA-N
XLogP2.06
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-chloroquinolin-4-yl)-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 133339048
2-[methyl-(5-nitroquinolin-6-yl)amino]acetic acid
CID 43809826
2-(2-cyano-N,5-dimethylanilino)acetic acid
CID 62308954
2-[methyl-(6-methyl-1,3-benzothiazol-2-yl)amino]acetic acid
CID 56724774
2-[methyl-(5-methyl-1,2-benzoxazol-3-yl)amino]acetic acid
CID 83837531
N-(3,5-dimethoxyphenyl)-2-[(6-methoxyquinolin-4-yl)-methylamino]acetamide
CID 166382736
2-[(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)-methylamino]acetic acid
CID 83841415
2-(4-chloro-6-methylquinolin-3-yl)acetic acid
CID 84699091
2-(6-methylquinolin-4-yl)oxyethanol
CID 50877423
2-[(6-methylquinolin-4-yl)amino]propanoic acid
CID 83840397
2-[N-methyl-4-[(E)-2-quinolin-4-ylethenyl]anilino]acetic acid
CID 6052943
2-[(3-amino-4-pyridinyl)-methylamino]acetic acid
CID 62253485

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(6-methylquinolin-4-yl)amino]acetic acid?
The IUPAC name of 2-[methyl-(6-methylquinolin-4-yl)amino]acetic acid (CID 83840395) is 2-[methyl-(6-methylquinolin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(6-methylquinolin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(6-methylquinolin-4-yl)amino]acetic acid is Cc1ccc2nccc(N(C)CC(=O)O)c2c1.
What is the InChIKey of 2-[methyl-(6-methylquinolin-4-yl)amino]acetic acid?
The InChIKey is YJXDSMKYKNVBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-3-4-11-10(7-9)12(5-6-14-11)15(2)8-13(16)17/h3-7H,8H2,1-2H3,(H,16,17).
What are the key properties of 2-[methyl-(6-methylquinolin-4-yl)amino]acetic acid?
2-[methyl-(6-methylquinolin-4-yl)amino]acetic acid has a molecular weight of 230.27 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(6-methylquinolin-4-yl)amino]acetic acid is sourced from PubChem (CID 83840395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).