1-(6-propan-2-yloxyquinolin-4-yl)azetidine-3-carboxylic acid

C16H18N2O3 — CID 122064350

IUPAC1-(6-propan-2-yloxyquinolin-4-yl)azetidine-3-carboxylic acid
SMILESCC(C)Oc1ccc2nccc(N3CC(C(=O)O)C3)c2c1
InChIInChI=1S/C16H18N2O3/c1-10(2)21-12-3-4-14-13(7-12)15(5-6-17-14)18-8-11(9-18)16(19)20/h3-7,10-11H,8-9H2,1-2H3,(H,19,20)
InChIKeyDMOOOISQVNIIKS-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.54
Rot. Bonds4

About 1-(6-propan-2-yloxyquinolin-4-yl)azetidine-3-carboxylic acid

1-(6-propan-2-yloxyquinolin-4-yl)azetidine-3-carboxylic acid (PubChem CID 122064350) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(6-propan-2-yloxyquinolin-4-yl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-propan-2-yloxyquinolin-4-yl)azetidine-3-carboxylic acid
PubChem CID122064350
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-(6-propan-2-yloxyquinolin-4-yl)azetidine-3-carboxylic acid
SMILESCC(C)Oc1ccc2nccc(N3CC(C(=O)O)C3)c2c1
InChIInChI=1S/C16H18N2O3/c1-10(2)21-12-3-4-14-13(7-12)15(5-6-17-14)18-8-11(9-18)16(19)20/h3-7,10-11H,8-9H2,1-2H3,(H,19,20)
InChIKeyDMOOOISQVNIIKS-UHFFFAOYSA-N
XLogP2.54
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(6-propan-2-yloxyquinolin-4-yl)pyrrolidin-3-yl]triazole-4-carboxylic acid
CID 146134060
2-methyl-4-(6-propan-2-yloxyquinolin-4-yl)morpholine-2-carboxylic acid
CID 138051639
(2R)-2-[(6-propan-2-yloxyquinolin-4-yl)amino]propanoic acid
CID 122049854
1-(6-chloroquinolin-4-yl)piperidine-4-carboxylic acid
CID 71563708
methyl 4-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]quinoline-6-carboxylate
CID 155961103
(3S)-1-(6-methoxyquinolin-4-yl)-N-methylpyrrolidin-3-amine
CID 66954288
1-(6,7-dimethoxyquinolin-4-yl)piperidine-4-carboxylic acid
CID 155125461
1-(6-methoxyquinolin-4-yl)-N-(4-pyrrol-1-ylphenyl)piperidine-3-carboxamide
CID 91952291
1-(6-methoxyquinazolin-4-yl)piperidine-3-carboxylic acid
CID 21002829
2-[[1-(6-methoxyquinolin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126926740
(3S,4S)-1-(6-chloroquinolin-4-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122064023
4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6-(4-phenoxyphenyl)sulfanylquinoline
CID 44529290

Frequently Asked Questions

What is the IUPAC name of 1-(6-propan-2-yloxyquinolin-4-yl)azetidine-3-carboxylic acid?
The IUPAC name of 1-(6-propan-2-yloxyquinolin-4-yl)azetidine-3-carboxylic acid (CID 122064350) is 1-(6-propan-2-yloxyquinolin-4-yl)azetidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-propan-2-yloxyquinolin-4-yl)azetidine-3-carboxylic acid?
The canonical SMILES for 1-(6-propan-2-yloxyquinolin-4-yl)azetidine-3-carboxylic acid is CC(C)Oc1ccc2nccc(N3CC(C(=O)O)C3)c2c1.
What is the InChIKey of 1-(6-propan-2-yloxyquinolin-4-yl)azetidine-3-carboxylic acid?
The InChIKey is DMOOOISQVNIIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10(2)21-12-3-4-14-13(7-12)15(5-6-17-14)18-8-11(9-18)16(19)20/h3-7,10-11H,8-9H2,1-2H3,(H,19,20).
What are the key properties of 1-(6-propan-2-yloxyquinolin-4-yl)azetidine-3-carboxylic acid?
1-(6-propan-2-yloxyquinolin-4-yl)azetidine-3-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-propan-2-yloxyquinolin-4-yl)azetidine-3-carboxylic acid is sourced from PubChem (CID 122064350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).