2-(6-acetamido-4-methylquinolin-2-yl)acetic acid

C14H14N2O3 — CID 82574932

IUPAC2-(6-acetamido-4-methylquinolin-2-yl)acetic acid
SMILESCC(=O)Nc1ccc2nc(CC(=O)O)cc(C)c2c1
InChIInChI=1S/C14H14N2O3/c1-8-5-11(7-14(18)19)16-13-4-3-10(6-12(8)13)15-9(2)17/h3-6H,7H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyWYKUDTVUXBXHHN-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.13
Rot. Bonds3

About 2-(6-acetamido-4-methylquinolin-2-yl)acetic acid

2-(6-acetamido-4-methylquinolin-2-yl)acetic acid (PubChem CID 82574932) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-(6-acetamido-4-methylquinolin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(6-acetamido-4-methylquinolin-2-yl)acetic acid
PubChem CID82574932
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-(6-acetamido-4-methylquinolin-2-yl)acetic acid
SMILESCC(=O)Nc1ccc2nc(CC(=O)O)cc(C)c2c1
InChIInChI=1S/C14H14N2O3/c1-8-5-11(7-14(18)19)16-13-4-3-10(6-12(8)13)15-9(2)17/h3-6H,7H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyWYKUDTVUXBXHHN-UHFFFAOYSA-N
XLogP2.13
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4,6-dimethylquinolin-2-yl)acetate
CID 82575101
2-(7-methoxy-4-methylquinolin-2-yl)acetic acid
CID 82574913
methyl 2-(6-ethyl-4-methylquinolin-2-yl)acetate
CID 59382493
N-[2-(4-hydroxy-2-methoxyphenyl)-4-methylquinolin-6-yl]acetamide
CID 169414234
N-(4-bromo-2-ethylquinazolin-6-yl)acetamide
CID 106584212
2-acetamido-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)acetamide
CID 5067109
2-(6-ethyl-4-methylquinolin-2-yl)acetamide
CID 82575332
N-[2-(diethylamino)-4-methylquinolin-6-yl]-2-(4-methylphenyl)acetamide
CID 122174559
N-[2-(dimethylamino)-4-methylquinolin-7-yl]acetamide
CID 503988
N-[4-methyl-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinolin-6-yl]acetamide
CID 50825427
methyl 2-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]acetate
CID 82575144
methyl 2-(6-butyl-4-methylquinolin-2-yl)acetate
CID 82575128

Frequently Asked Questions

What is the IUPAC name of 2-(6-acetamido-4-methylquinolin-2-yl)acetic acid?
The IUPAC name of 2-(6-acetamido-4-methylquinolin-2-yl)acetic acid (CID 82574932) is 2-(6-acetamido-4-methylquinolin-2-yl)acetic acid.
What is the SMILES notation for 2-(6-acetamido-4-methylquinolin-2-yl)acetic acid?
The canonical SMILES for 2-(6-acetamido-4-methylquinolin-2-yl)acetic acid is CC(=O)Nc1ccc2nc(CC(=O)O)cc(C)c2c1.
What is the InChIKey of 2-(6-acetamido-4-methylquinolin-2-yl)acetic acid?
The InChIKey is WYKUDTVUXBXHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-8-5-11(7-14(18)19)16-13-4-3-10(6-12(8)13)15-9(2)17/h3-6H,7H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-(6-acetamido-4-methylquinolin-2-yl)acetic acid?
2-(6-acetamido-4-methylquinolin-2-yl)acetic acid has a molecular weight of 258.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-acetamido-4-methylquinolin-2-yl)acetic acid is sourced from PubChem (CID 82574932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).