3,3-dimethyl-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2,4-dihydro-1H-quinoline-6-carboxylic acid

C21H22N2O4 — CID 67441802

IUPAC3,3-dimethyl-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2,4-dihydro-1H-quinoline-6-carboxylic acid
SMILESCC1(C)Cc2cc(C(=O)O)ccc2NC1c1cccc(N2CCOC2=O)c1
InChIInChI=1S/C21H22N2O4/c1-21(2)12-15-10-14(19(24)25)6-7-17(15)22-18(21)13-4-3-5-16(11-13)23-8-9-27-20(23)26/h3-7,10-11,18,22H,8-9,12H2,1-2H3,(H,24,25)
InChIKeyZFAKNKWJEMZVKG-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.08
Rot. Bonds3

About 3,3-dimethyl-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2,4-dihydro-1H-quinoline-6-carboxylic acid

3,3-dimethyl-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2,4-dihydro-1H-quinoline-6-carboxylic acid (PubChem CID 67441802) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 3,3-dimethyl-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2,4-dihydro-1H-quinoline-6-carboxylic acid.

Molecular Properties

Compound Name3,3-dimethyl-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2,4-dihydro-1H-quinoline-6-carboxylic acid
PubChem CID67441802
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name3,3-dimethyl-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2,4-dihydro-1H-quinoline-6-carboxylic acid
SMILESCC1(C)Cc2cc(C(=O)O)ccc2NC1c1cccc(N2CCOC2=O)c1
InChIInChI=1S/C21H22N2O4/c1-21(2)12-15-10-14(19(24)25)6-7-17(15)22-18(21)13-4-3-5-16(11-13)23-8-9-27-20(23)26/h3-7,10-11,18,22H,8-9,12H2,1-2H3,(H,24,25)
InChIKeyZFAKNKWJEMZVKG-UHFFFAOYSA-N
XLogP4.08
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,3-dimethyl-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2,4-dihydro-1H-quinoline-6-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2,4-dihydro-1H-quinoline-6-carboxylic acid?
The IUPAC name of 3,3-dimethyl-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2,4-dihydro-1H-quinoline-6-carboxylic acid (CID 67441802) is 3,3-dimethyl-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2,4-dihydro-1H-quinoline-6-carboxylic acid.
What is the SMILES notation for 3,3-dimethyl-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2,4-dihydro-1H-quinoline-6-carboxylic acid?
The canonical SMILES for 3,3-dimethyl-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2,4-dihydro-1H-quinoline-6-carboxylic acid is CC1(C)Cc2cc(C(=O)O)ccc2NC1c1cccc(N2CCOC2=O)c1.
What is the InChIKey of 3,3-dimethyl-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2,4-dihydro-1H-quinoline-6-carboxylic acid?
The InChIKey is ZFAKNKWJEMZVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-21(2)12-15-10-14(19(24)25)6-7-17(15)22-18(21)13-4-3-5-16(11-13)23-8-9-27-20(23)26/h3-7,10-11,18,22H,8-9,12H2,1-2H3,(H,24,25).
What are the key properties of 3,3-dimethyl-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2,4-dihydro-1H-quinoline-6-carboxylic acid?
3,3-dimethyl-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2,4-dihydro-1H-quinoline-6-carboxylic acid has a molecular weight of 366.42 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2,4-dihydro-1H-quinoline-6-carboxylic acid is sourced from PubChem (CID 67441802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).