2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-quinolin-4-one

C18H20N4O2 — CID 155540568

IUPAC2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-quinolin-4-one
SMILESO=c1cc(-c2cnn(CCN3CCOCC3)c2)[nH]c2ccccc12
InChIInChI=1S/C18H20N4O2/c23-18-11-17(20-16-4-2-1-3-15(16)18)14-12-19-22(13-14)6-5-21-7-9-24-10-8-21/h1-4,11-13H,5-10H2,(H,20,23)
InChIKeyJYBUWAJTNVNCAA-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.72
Rot. Bonds4

About 2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-quinolin-4-one

2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-quinolin-4-one (PubChem CID 155540568) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-quinolin-4-one
PubChem CID155540568
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-quinolin-4-one
SMILESO=c1cc(-c2cnn(CCN3CCOCC3)c2)[nH]c2ccccc12
InChIInChI=1S/C18H20N4O2/c23-18-11-17(20-16-4-2-1-3-15(16)18)14-12-19-22(13-14)6-5-21-7-9-24-10-8-21/h1-4,11-13H,5-10H2,(H,20,23)
InChIKeyJYBUWAJTNVNCAA-UHFFFAOYSA-N
XLogP1.72
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(morpholin-4-yl)ethyl]-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 17469911
1-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpyrazole-4-carboxamide
CID 25664616
N-(2-methyl-2-morpholin-4-ylpropyl)-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
CID 45736384
2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-1H-quinolin-4-one
CID 67617039
3-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide
CID 17534262
2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1H-quinolin-4-one
CID 155557029
N-(2-morpholin-4-ylethyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide
CID 162655328
3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide
CID 2312504
N-[[7-fluoro-1-(2-fluorophenyl)-4-oxoquinolin-3-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 71217375
2-(aminomethyl)-6-pyrazol-1-yl-1H-quinolin-4-one
CID 130302152
2-(aminomethyl)-6-(1-methylpyrazol-4-yl)-1H-quinolin-4-one
CID 130302194
3-methyl-2-[4-[1-[2-(1-piperidyl)ethyl]pyrazol-4-yl]phenyl]-1H-quinolin-4-one
CID 70687951

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-quinolin-4-one?
The IUPAC name of 2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-quinolin-4-one (CID 155540568) is 2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-quinolin-4-one.
What is the SMILES notation for 2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-quinolin-4-one?
The canonical SMILES for 2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-quinolin-4-one is O=c1cc(-c2cnn(CCN3CCOCC3)c2)[nH]c2ccccc12.
What is the InChIKey of 2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-quinolin-4-one?
The InChIKey is JYBUWAJTNVNCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c23-18-11-17(20-16-4-2-1-3-15(16)18)14-12-19-22(13-14)6-5-21-7-9-24-10-8-21/h1-4,11-13H,5-10H2,(H,20,23).
What are the key properties of 2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-quinolin-4-one?
2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-quinolin-4-one has a molecular weight of 324.38 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-quinolin-4-one is sourced from PubChem (CID 155540568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).