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

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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).