2-[2-[2-(oxan-4-yl)pyrazol-3-yl]ethenyl]quinoline-6-carboxylic acid

C20H19N3O3 — CID 136555373

IUPAC2-[2-[2-(oxan-4-yl)pyrazol-3-yl]ethenyl]quinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(C=Cc3ccnn3C3CCOCC3)ccc2c1
InChIInChI=1S/C20H19N3O3/c24-20(25)15-2-6-19-14(13-15)1-3-16(22-19)4-5-17-7-10-21-23(17)18-8-11-26-12-9-18/h1-7,10,13,18H,8-9,11-12H2,(H,24,25)
InChIKeyBILCSASOVKTDFJ-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.65
Rot. Bonds4

About 2-[2-[2-(oxan-4-yl)pyrazol-3-yl]ethenyl]quinoline-6-carboxylic acid

2-[2-[2-(oxan-4-yl)pyrazol-3-yl]ethenyl]quinoline-6-carboxylic acid (PubChem CID 136555373) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-[2-[2-(oxan-4-yl)pyrazol-3-yl]ethenyl]quinoline-6-carboxylic acid.

Molecular Properties

Compound Name2-[2-[2-(oxan-4-yl)pyrazol-3-yl]ethenyl]quinoline-6-carboxylic acid
PubChem CID136555373
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name2-[2-[2-(oxan-4-yl)pyrazol-3-yl]ethenyl]quinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(C=Cc3ccnn3C3CCOCC3)ccc2c1
InChIInChI=1S/C20H19N3O3/c24-20(25)15-2-6-19-14(13-15)1-3-16(22-19)4-5-17-7-10-21-23(17)18-8-11-26-12-9-18/h1-7,10,13,18H,8-9,11-12H2,(H,24,25)
InChIKeyBILCSASOVKTDFJ-UHFFFAOYSA-N
XLogP3.65
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,5-dimethyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid
CID 3164943
2-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-quinolinecarboxylic acid
CID 6485411
methyl 4-(2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-6-carboxylate
CID 24776250
2-(1-ethyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid
CID 6485380
2-(1,3-dimethyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid
CID 6485381
Ethyl 4-[benzyl(methyl)amino]-6-methylquinoline-3-carboxylate
CID 696527
4-[(2E)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoic acid
CID 9631515
Methyl 4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxopyridazin-3-yl]benzoate
CID 168271341
2-((3,5-Dimethyl-1H-pyrazol-1-yl)methyl)-4-quinolinecarboxylic acid
CID 6485409
2-(1-methyl-1H-pyrazol-3-yl)quinoline-4-carboxylic acid
CID 6485423
(E)-4-(2-(quinolin-6-ylmethylene)hydrazinyl)benzoic acid
CID 9633858
4-[(2E)-2-(quinolin-8-ylmethylidene)hydrazinyl]benzoic acid
CID 9658829

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(oxan-4-yl)pyrazol-3-yl]ethenyl]quinoline-6-carboxylic acid?
The IUPAC name of 2-[2-[2-(oxan-4-yl)pyrazol-3-yl]ethenyl]quinoline-6-carboxylic acid (CID 136555373) is 2-[2-[2-(oxan-4-yl)pyrazol-3-yl]ethenyl]quinoline-6-carboxylic acid.
What is the SMILES notation for 2-[2-[2-(oxan-4-yl)pyrazol-3-yl]ethenyl]quinoline-6-carboxylic acid?
The canonical SMILES for 2-[2-[2-(oxan-4-yl)pyrazol-3-yl]ethenyl]quinoline-6-carboxylic acid is O=C(O)c1ccc2nc(C=Cc3ccnn3C3CCOCC3)ccc2c1.
What is the InChIKey of 2-[2-[2-(oxan-4-yl)pyrazol-3-yl]ethenyl]quinoline-6-carboxylic acid?
The InChIKey is BILCSASOVKTDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-20(25)15-2-6-19-14(13-15)1-3-16(22-19)4-5-17-7-10-21-23(17)18-8-11-26-12-9-18/h1-7,10,13,18H,8-9,11-12H2,(H,24,25).
What are the key properties of 2-[2-[2-(oxan-4-yl)pyrazol-3-yl]ethenyl]quinoline-6-carboxylic acid?
2-[2-[2-(oxan-4-yl)pyrazol-3-yl]ethenyl]quinoline-6-carboxylic acid has a molecular weight of 349.39 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(oxan-4-yl)pyrazol-3-yl]ethenyl]quinoline-6-carboxylic acid is sourced from PubChem (CID 136555373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).