1-[1-(2-methoxyethyl)-3-methylazetidin-3-yl]-4-oxoquinoline-3-carboxylic acid

C17H20N2O4 — CID 175895920

IUPAC1-[1-(2-methoxyethyl)-3-methylazetidin-3-yl]-4-oxoquinoline-3-carboxylic acid
SMILESCOCCN1CC(C)(n2cc(C(=O)O)c(=O)c3ccccc32)C1
InChIInChI=1S/C17H20N2O4/c1-17(10-18(11-17)7-8-23-2)19-9-13(16(21)22)15(20)12-5-3-4-6-14(12)19/h3-6,9H,7-8,10-11H2,1-2H3,(H,21,22)
InChIKeyRPTJCZWGFAVHGP-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.38
Rot. Bonds5

About 1-[1-(2-methoxyethyl)-3-methylazetidin-3-yl]-4-oxoquinoline-3-carboxylic acid

1-[1-(2-methoxyethyl)-3-methylazetidin-3-yl]-4-oxoquinoline-3-carboxylic acid (PubChem CID 175895920) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)-3-methylazetidin-3-yl]-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)-3-methylazetidin-3-yl]-4-oxoquinoline-3-carboxylic acid
PubChem CID175895920
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name1-[1-(2-methoxyethyl)-3-methylazetidin-3-yl]-4-oxoquinoline-3-carboxylic acid
SMILESCOCCN1CC(C)(n2cc(C(=O)O)c(=O)c3ccccc32)C1
InChIInChI=1S/C17H20N2O4/c1-17(10-18(11-17)7-8-23-2)19-9-13(16(21)22)15(20)12-5-3-4-6-14(12)19/h3-6,9H,7-8,10-11H2,1-2H3,(H,21,22)
InChIKeyRPTJCZWGFAVHGP-UHFFFAOYSA-N
XLogP1.38
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-(2-methoxyethyl)-3-methylazetidin-3-yl]-4-oxoquinoline-3-carboxylic 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

1-(3-methoxy-3-methylbutyl)-4-oxoquinoline-3-carboxylic acid
CID 103034248
1-(3-hydroxy-3-methylbutyl)-4-oxoquinoline-3-carboxylic acid
CID 79354862
1-hydroxy-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 141163916
4-oxo-1-(3,3,3-trifluoropropyl)quinoline-3-carboxylic acid
CID 64566721
CID 159665167
CID 159665167
1-(fluoromethoxy)-4-oxoquinoline-3-carboxylic acid
CID 91240711
1-[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]-4-oxoquinoline-3-carboxylic acid
CID 175896057
1-[2-(4-fluorophenyl)ethyl]-4-oxoquinoline-3-carboxylic acid
CID 171745595
3-[4-(2-methoxyethyl)piperazin-1-yl]-1-phenylpropan-1-one
CID 118909812
4-oxo-1-(piperidin-4-ylmethyl)quinoline-3-carboxylic acid
CID 71734321
4-methyl-1-oxobenzo[f]quinoline-2-carboxylic acid
CID 154144865
1-naphthalen-1-yl-4-oxoquinoline-3-carboxylic acid
CID 174428964

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)-3-methylazetidin-3-yl]-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-[1-(2-methoxyethyl)-3-methylazetidin-3-yl]-4-oxoquinoline-3-carboxylic acid (CID 175895920) is 1-[1-(2-methoxyethyl)-3-methylazetidin-3-yl]-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-[1-(2-methoxyethyl)-3-methylazetidin-3-yl]-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-[1-(2-methoxyethyl)-3-methylazetidin-3-yl]-4-oxoquinoline-3-carboxylic acid is COCCN1CC(C)(n2cc(C(=O)O)c(=O)c3ccccc32)C1.
What is the InChIKey of 1-[1-(2-methoxyethyl)-3-methylazetidin-3-yl]-4-oxoquinoline-3-carboxylic acid?
The InChIKey is RPTJCZWGFAVHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-17(10-18(11-17)7-8-23-2)19-9-13(16(21)22)15(20)12-5-3-4-6-14(12)19/h3-6,9H,7-8,10-11H2,1-2H3,(H,21,22).
What are the key properties of 1-[1-(2-methoxyethyl)-3-methylazetidin-3-yl]-4-oxoquinoline-3-carboxylic acid?
1-[1-(2-methoxyethyl)-3-methylazetidin-3-yl]-4-oxoquinoline-3-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)-3-methylazetidin-3-yl]-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 175895920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).