1-(cyclobutylmethyl)-3-(1H-pyrazol-4-yl)-5,6,7,8-tetrahydroquinolin-2-one

C17H21N3O — CID 24989441

IUPAC1-(cyclobutylmethyl)-3-(1H-pyrazol-4-yl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESO=c1c(-c2cn[nH]c2)cc2c(n1CC1CCC1)CCCC2
InChIInChI=1S/C17H21N3O/c21-17-15(14-9-18-19-10-14)8-13-6-1-2-7-16(13)20(17)11-12-4-3-5-12/h8-10,12H,1-7,11H2,(H,18,19)
InChIKeyOYKJYEINIRUUBA-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.92
Rot. Bonds3

About 1-(cyclobutylmethyl)-3-(1H-pyrazol-4-yl)-5,6,7,8-tetrahydroquinolin-2-one

1-(cyclobutylmethyl)-3-(1H-pyrazol-4-yl)-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 24989441) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3-(1H-pyrazol-4-yl)-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-3-(1H-pyrazol-4-yl)-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID24989441
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name1-(cyclobutylmethyl)-3-(1H-pyrazol-4-yl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESO=c1c(-c2cn[nH]c2)cc2c(n1CC1CCC1)CCCC2
InChIInChI=1S/C17H21N3O/c21-17-15(14-9-18-19-10-14)8-13-6-1-2-7-16(13)20(17)11-12-4-3-5-12/h8-10,12H,1-7,11H2,(H,18,19)
InChIKeyOYKJYEINIRUUBA-UHFFFAOYSA-N
XLogP2.92
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-3-(1H-pyrazol-4-yl)-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 1-(cyclobutylmethyl)-3-(1H-pyrazol-4-yl)-5,6,7,8-tetrahydroquinolin-2-one (CID 24989441) is 1-(cyclobutylmethyl)-3-(1H-pyrazol-4-yl)-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 1-(cyclobutylmethyl)-3-(1H-pyrazol-4-yl)-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 1-(cyclobutylmethyl)-3-(1H-pyrazol-4-yl)-5,6,7,8-tetrahydroquinolin-2-one is O=c1c(-c2cn[nH]c2)cc2c(n1CC1CCC1)CCCC2.
What is the InChIKey of 1-(cyclobutylmethyl)-3-(1H-pyrazol-4-yl)-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is OYKJYEINIRUUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c21-17-15(14-9-18-19-10-14)8-13-6-1-2-7-16(13)20(17)11-12-4-3-5-12/h8-10,12H,1-7,11H2,(H,18,19).
What are the key properties of 1-(cyclobutylmethyl)-3-(1H-pyrazol-4-yl)-5,6,7,8-tetrahydroquinolin-2-one?
1-(cyclobutylmethyl)-3-(1H-pyrazol-4-yl)-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 283.37 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-3-(1H-pyrazol-4-yl)-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 24989441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).