8-[(1-cyclobutylpyrazol-3-yl)methylamino]quinoline-6-carboxylic acid

C18H18N4O2 — CID 166275206

IUPAC8-[(1-cyclobutylpyrazol-3-yl)methylamino]quinoline-6-carboxylic acid
SMILESO=C(O)c1cc(NCc2ccn(C3CCC3)n2)c2ncccc2c1
InChIInChI=1S/C18H18N4O2/c23-18(24)13-9-12-3-2-7-19-17(12)16(10-13)20-11-14-6-8-22(21-14)15-4-1-5-15/h2-3,6-10,15,20H,1,4-5,11H2,(H,23,24)
InChIKeyBZLXTTQDVDBZQC-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.47
Rot. Bonds5

About 8-[(1-cyclobutylpyrazol-3-yl)methylamino]quinoline-6-carboxylic acid

8-[(1-cyclobutylpyrazol-3-yl)methylamino]quinoline-6-carboxylic acid (PubChem CID 166275206) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 8-[(1-cyclobutylpyrazol-3-yl)methylamino]quinoline-6-carboxylic acid.

Molecular Properties

Compound Name8-[(1-cyclobutylpyrazol-3-yl)methylamino]quinoline-6-carboxylic acid
PubChem CID166275206
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name8-[(1-cyclobutylpyrazol-3-yl)methylamino]quinoline-6-carboxylic acid
SMILESO=C(O)c1cc(NCc2ccn(C3CCC3)n2)c2ncccc2c1
InChIInChI=1S/C18H18N4O2/c23-18(24)13-9-12-3-2-7-19-17(12)16(10-13)20-11-14-6-8-22(21-14)15-4-1-5-15/h2-3,6-10,15,20H,1,4-5,11H2,(H,23,24)
InChIKeyBZLXTTQDVDBZQC-UHFFFAOYSA-N
XLogP3.47
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-(methylamino)quinoline-6-carboxylic acid
CID 170992656
2-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-methylpropanamide
CID 64800668
2,4-dibromo-N-[(1-cyclohexylpyrazol-3-yl)methyl]aniline
CID 64801058
3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylaniline
CID 64801006
2-(1-cyclopentylpyrazol-3-yl)-1-(2-methyl-3-pyridinyl)ethanone
CID 105107346
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(tetrazol-1-yl)aniline
CID 167855564
N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133386177
8-sulfamoylquinoline-6-carboxylic acid
CID 50989782
N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-iodoaniline
CID 64800257
2,4,6-tribromo-N-[(1-cyclopentylpyrazol-3-yl)methyl]aniline
CID 64800838
8-(2-methoxypropylsulfonylamino)quinoline-6-carboxylic acid
CID 167792756
5-bromo-N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-fluoro-2-methylaniline
CID 107592054

Frequently Asked Questions

What is the IUPAC name of 8-[(1-cyclobutylpyrazol-3-yl)methylamino]quinoline-6-carboxylic acid?
The IUPAC name of 8-[(1-cyclobutylpyrazol-3-yl)methylamino]quinoline-6-carboxylic acid (CID 166275206) is 8-[(1-cyclobutylpyrazol-3-yl)methylamino]quinoline-6-carboxylic acid.
What is the SMILES notation for 8-[(1-cyclobutylpyrazol-3-yl)methylamino]quinoline-6-carboxylic acid?
The canonical SMILES for 8-[(1-cyclobutylpyrazol-3-yl)methylamino]quinoline-6-carboxylic acid is O=C(O)c1cc(NCc2ccn(C3CCC3)n2)c2ncccc2c1.
What is the InChIKey of 8-[(1-cyclobutylpyrazol-3-yl)methylamino]quinoline-6-carboxylic acid?
The InChIKey is BZLXTTQDVDBZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-18(24)13-9-12-3-2-7-19-17(12)16(10-13)20-11-14-6-8-22(21-14)15-4-1-5-15/h2-3,6-10,15,20H,1,4-5,11H2,(H,23,24).
What are the key properties of 8-[(1-cyclobutylpyrazol-3-yl)methylamino]quinoline-6-carboxylic acid?
8-[(1-cyclobutylpyrazol-3-yl)methylamino]quinoline-6-carboxylic acid has a molecular weight of 322.37 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-cyclobutylpyrazol-3-yl)methylamino]quinoline-6-carboxylic acid is sourced from PubChem (CID 166275206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).