2-[2-[(4S)-7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetic acid

C19H20N2O4 — CID 95133159

IUPAC2-[2-[(4S)-7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetic acid
SMILESCN(C)c1ccc2c(c1)NC(=O)C[C@@H]2c1ccccc1OCC(=O)O
InChIInChI=1S/C19H20N2O4/c1-21(2)12-7-8-13-15(10-18(22)20-16(13)9-12)14-5-3-4-6-17(14)25-11-19(23)24/h3-9,15H,10-11H2,1-2H3,(H,20,22)(H,23,24)/t15-/m0/s1
InChIKeyVZTJGIPKNZRLMN-HNNXBMFYSA-N
MW340.38 g/mol
LogP2.69
Rot. Bonds5

About 2-[2-[(4S)-7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetic acid

2-[2-[(4S)-7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetic acid (PubChem CID 95133159) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[2-[(4S)-7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(4S)-7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetic acid
PubChem CID95133159
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-[2-[(4S)-7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetic acid
SMILESCN(C)c1ccc2c(c1)NC(=O)C[C@@H]2c1ccccc1OCC(=O)O
InChIInChI=1S/C19H20N2O4/c1-21(2)12-7-8-13-15(10-18(22)20-16(13)9-12)14-5-3-4-6-17(14)25-11-19(23)24/h3-9,15H,10-11H2,1-2H3,(H,20,22)(H,23,24)/t15-/m0/s1
InChIKeyVZTJGIPKNZRLMN-HNNXBMFYSA-N
XLogP2.69
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4S)-7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[(4S)-7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetic acid (CID 95133159) is 2-[2-[(4S)-7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[(4S)-7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[(4S)-7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetic acid is CN(C)c1ccc2c(c1)NC(=O)C[C@@H]2c1ccccc1OCC(=O)O.
What is the InChIKey of 2-[2-[(4S)-7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetic acid?
The InChIKey is VZTJGIPKNZRLMN-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-21(2)12-7-8-13-15(10-18(22)20-16(13)9-12)14-5-3-4-6-17(14)25-11-19(23)24/h3-9,15H,10-11H2,1-2H3,(H,20,22)(H,23,24)/t15-/m0/s1.
What are the key properties of 2-[2-[(4S)-7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetic acid?
2-[2-[(4S)-7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetic acid has a molecular weight of 340.38 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4S)-7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetic acid is sourced from PubChem (CID 95133159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).