N-[4-[(2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl)methyl]phenyl]acetamide

C21H23N3O2 — CID 134793522

IUPACN-[4-[(2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCC3(Cc4ccccc4NC3=O)C2)cc1
InChIInChI=1S/C21H23N3O2/c1-15(25)22-18-8-6-16(7-9-18)13-24-11-10-21(14-24)12-17-4-2-3-5-19(17)23-20(21)26/h2-9H,10-14H2,1H3,(H,22,25)(H,23,26)
InChIKeyLAXOXWINRYFYCH-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.03
Rot. Bonds3

About N-[4-[(2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl)methyl]phenyl]acetamide

N-[4-[(2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl)methyl]phenyl]acetamide (PubChem CID 134793522) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[4-[(2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl)methyl]phenyl]acetamide
PubChem CID134793522
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[4-[(2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCC3(Cc4ccccc4NC3=O)C2)cc1
InChIInChI=1S/C21H23N3O2/c1-15(25)22-18-8-6-16(7-9-18)13-24-11-10-21(14-24)12-17-4-2-3-5-19(17)23-20(21)26/h2-9H,10-14H2,1H3,(H,22,25)(H,23,26)
InChIKeyLAXOXWINRYFYCH-UHFFFAOYSA-N
XLogP3.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl)methyl]phenyl]acetamide (CID 134793522) is N-[4-[(2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl)methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2CCC3(Cc4ccccc4NC3=O)C2)cc1.
What is the InChIKey of N-[4-[(2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl)methyl]phenyl]acetamide?
The InChIKey is LAXOXWINRYFYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15(25)22-18-8-6-16(7-9-18)13-24-11-10-21(14-24)12-17-4-2-3-5-19(17)23-20(21)26/h2-9H,10-14H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[4-[(2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl)methyl]phenyl]acetamide?
N-[4-[(2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl)methyl]phenyl]acetamide has a molecular weight of 349.43 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 134793522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).