2-[6-(dimethylamino)-4-oxo-1-propan-2-ylquinolin-2-yl]acetic acid

C16H20N2O3 — CID 82250240

IUPAC2-[6-(dimethylamino)-4-oxo-1-propan-2-ylquinolin-2-yl]acetic acid
SMILESCC(C)n1c(CC(=O)O)cc(=O)c2cc(N(C)C)ccc21
InChIInChI=1S/C16H20N2O3/c1-10(2)18-12(9-16(20)21)8-15(19)13-7-11(17(3)4)5-6-14(13)18/h5-8,10H,9H2,1-4H3,(H,20,21)
InChIKeyPHJWJJCYDNIDIW-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.28
Rot. Bonds4

About 2-[6-(dimethylamino)-4-oxo-1-propan-2-ylquinolin-2-yl]acetic acid

2-[6-(dimethylamino)-4-oxo-1-propan-2-ylquinolin-2-yl]acetic acid (PubChem CID 82250240) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[6-(dimethylamino)-4-oxo-1-propan-2-ylquinolin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(dimethylamino)-4-oxo-1-propan-2-ylquinolin-2-yl]acetic acid
PubChem CID82250240
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[6-(dimethylamino)-4-oxo-1-propan-2-ylquinolin-2-yl]acetic acid
SMILESCC(C)n1c(CC(=O)O)cc(=O)c2cc(N(C)C)ccc21
InChIInChI=1S/C16H20N2O3/c1-10(2)18-12(9-16(20)21)8-15(19)13-7-11(17(3)4)5-6-14(13)18/h5-8,10H,9H2,1-4H3,(H,20,21)
InChIKeyPHJWJJCYDNIDIW-UHFFFAOYSA-N
XLogP2.28
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[6-(dimethylamino)-4-oxo-1-propan-2-ylquinolin-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-butan-2-yl-6-chloro-4-oxoquinolin-2-yl)acetic acid
CID 82251217
2-(5-fluoro-1-propan-2-ylindol-2-yl)acetic acid
CID 83860165
2-(5-chloro-1-propan-2-ylindol-2-yl)acetic acid
CID 117121626
6-(dimethylamino)-3-propan-2-yl-1H-benzimidazol-2-one
CID 90717928
6-(dimethylamino)-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 82244225
2-(7-hydroxy-1-propan-2-ylindol-2-yl)acetic acid
CID 117197220
2-[7-(dimethylamino)-2-oxochromen-4-yl]acetic acid
CID 2762622
2-(3-methyl-1-propan-2-ylindol-2-yl)acetic acid
CID 83860122
3-[6-(carboxymethyl)-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl]propanoic acid
CID 82240388
3-(4-methyl-1-propan-2-ylindol-2-yl)propanoic acid
CID 117120379
7-bromo-2-(chloromethyl)-1-propan-2-ylquinolin-4-one
CID 175956211
1-(5-fluoro-1-propan-2-ylindol-2-yl)propan-2-one
CID 117195257

Frequently Asked Questions

What is the IUPAC name of 2-[6-(dimethylamino)-4-oxo-1-propan-2-ylquinolin-2-yl]acetic acid?
The IUPAC name of 2-[6-(dimethylamino)-4-oxo-1-propan-2-ylquinolin-2-yl]acetic acid (CID 82250240) is 2-[6-(dimethylamino)-4-oxo-1-propan-2-ylquinolin-2-yl]acetic acid.
What is the SMILES notation for 2-[6-(dimethylamino)-4-oxo-1-propan-2-ylquinolin-2-yl]acetic acid?
The canonical SMILES for 2-[6-(dimethylamino)-4-oxo-1-propan-2-ylquinolin-2-yl]acetic acid is CC(C)n1c(CC(=O)O)cc(=O)c2cc(N(C)C)ccc21.
What is the InChIKey of 2-[6-(dimethylamino)-4-oxo-1-propan-2-ylquinolin-2-yl]acetic acid?
The InChIKey is PHJWJJCYDNIDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10(2)18-12(9-16(20)21)8-15(19)13-7-11(17(3)4)5-6-14(13)18/h5-8,10H,9H2,1-4H3,(H,20,21).
What are the key properties of 2-[6-(dimethylamino)-4-oxo-1-propan-2-ylquinolin-2-yl]acetic acid?
2-[6-(dimethylamino)-4-oxo-1-propan-2-ylquinolin-2-yl]acetic acid has a molecular weight of 288.35 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(dimethylamino)-4-oxo-1-propan-2-ylquinolin-2-yl]acetic acid is sourced from PubChem (CID 82250240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).