1'-[(2-methylpyrazol-3-yl)methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one

C17H20N4O — CID 134795744

IUPAC1'-[(2-methylpyrazol-3-yl)methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one
SMILESCn1nccc1CN1CCC2(Cc3ccccc3NC2=O)C1
InChIInChI=1S/C17H20N4O/c1-20-14(6-8-18-20)11-21-9-7-17(12-21)10-13-4-2-3-5-15(13)19-16(17)22/h2-6,8H,7,9-12H2,1H3,(H,19,22)
InChIKeyJNCQLRVPFWAUAT-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.81
Rot. Bonds2

About 1'-[(2-methylpyrazol-3-yl)methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one

1'-[(2-methylpyrazol-3-yl)methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one (PubChem CID 134795744) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 1'-[(2-methylpyrazol-3-yl)methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-[(2-methylpyrazol-3-yl)methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one
PubChem CID134795744
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name1'-[(2-methylpyrazol-3-yl)methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one
SMILESCn1nccc1CN1CCC2(Cc3ccccc3NC2=O)C1
InChIInChI=1S/C17H20N4O/c1-20-14(6-8-18-20)11-21-9-7-17(12-21)10-13-4-2-3-5-15(13)19-16(17)22/h2-6,8H,7,9-12H2,1H3,(H,19,22)
InChIKeyJNCQLRVPFWAUAT-UHFFFAOYSA-N
XLogP1.81
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-[(2-methylpyrazol-3-yl)methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-[(2-methylpyrazol-3-yl)methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one (CID 134795744) is 1'-[(2-methylpyrazol-3-yl)methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-[(2-methylpyrazol-3-yl)methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-[(2-methylpyrazol-3-yl)methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one is Cn1nccc1CN1CCC2(Cc3ccccc3NC2=O)C1.
What is the InChIKey of 1'-[(2-methylpyrazol-3-yl)methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one?
The InChIKey is JNCQLRVPFWAUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-20-14(6-8-18-20)11-21-9-7-17(12-21)10-13-4-2-3-5-15(13)19-16(17)22/h2-6,8H,7,9-12H2,1H3,(H,19,22).
What are the key properties of 1'-[(2-methylpyrazol-3-yl)methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one?
1'-[(2-methylpyrazol-3-yl)methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one has a molecular weight of 296.37 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2-methylpyrazol-3-yl)methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 134795744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).