N-[2-(1'-cyano-2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-7-yl)phenyl]acetamide

C21H20N4O2 — CID 137479981

IUPACN-[2-(1'-cyano-2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-7-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1ccc2c(c1)NC(=O)C1(CCN(C#N)C1)C2
InChIInChI=1S/C21H20N4O2/c1-14(26)23-18-5-3-2-4-17(18)15-6-7-16-11-21(8-9-25(12-21)13-22)20(27)24-19(16)10-15/h2-7,10H,8-9,11-12H2,1H3,(H,23,26)(H,24,27)
InChIKeyQZNZMTLRZYPCFT-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.98
Rot. Bonds2

About N-[2-(1'-cyano-2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-7-yl)phenyl]acetamide

N-[2-(1'-cyano-2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-7-yl)phenyl]acetamide (PubChem CID 137479981) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[2-(1'-cyano-2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-7-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(1'-cyano-2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-7-yl)phenyl]acetamide
PubChem CID137479981
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-[2-(1'-cyano-2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-7-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1ccc2c(c1)NC(=O)C1(CCN(C#N)C1)C2
InChIInChI=1S/C21H20N4O2/c1-14(26)23-18-5-3-2-4-17(18)15-6-7-16-11-21(8-9-25(12-21)13-22)20(27)24-19(16)10-15/h2-7,10H,8-9,11-12H2,1H3,(H,23,26)(H,24,27)
InChIKeyQZNZMTLRZYPCFT-UHFFFAOYSA-N
XLogP2.98
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1'-cyano-2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-6-yl)phenyl]acetamide
CID 137378594
4-(1'-cyano-2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-7-yl)-N-methylbenzamide
CID 137479980
6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-1'-carbonitrile
CID 137378669
2-oxo-6-(4-phenylmethoxyphenyl)spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-1'-carbonitrile
CID 137378561
N-[2-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]acetamide
CID 95278271
N-[2-[4-[hydroxy-(4-methyl-2,5-dioxoimidazolidin-4-yl)methyl]phenyl]phenyl]acetamide
CID 91336072
1'-(3-methoxybenzoyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
CID 134792987
1'-propan-2-ylspiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
CID 176678107
spiro[2,4-dihydro-1H-quinoline-3,3'-pyrrolidine]-1'-carbonitrile
CID 154618923
tert-butyl (3S)-2-oxospiro[1,4-dihydroquinoline-3,3'-piperidine]-1'-carboxylate
CID 86318513
1'-[(2-methylpyrazol-3-yl)methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one
CID 134795744
N-(2-phenylphenyl)acetamide;propan-1-ol
CID 175030859

Frequently Asked Questions

What is the IUPAC name of N-[2-(1'-cyano-2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-7-yl)phenyl]acetamide?
The IUPAC name of N-[2-(1'-cyano-2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-7-yl)phenyl]acetamide (CID 137479981) is N-[2-(1'-cyano-2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-7-yl)phenyl]acetamide.
What is the SMILES notation for N-[2-(1'-cyano-2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-7-yl)phenyl]acetamide?
The canonical SMILES for N-[2-(1'-cyano-2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-7-yl)phenyl]acetamide is CC(=O)Nc1ccccc1-c1ccc2c(c1)NC(=O)C1(CCN(C#N)C1)C2.
What is the InChIKey of N-[2-(1'-cyano-2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-7-yl)phenyl]acetamide?
The InChIKey is QZNZMTLRZYPCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-14(26)23-18-5-3-2-4-17(18)15-6-7-16-11-21(8-9-25(12-21)13-22)20(27)24-19(16)10-15/h2-7,10H,8-9,11-12H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-[2-(1'-cyano-2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-7-yl)phenyl]acetamide?
N-[2-(1'-cyano-2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-7-yl)phenyl]acetamide has a molecular weight of 360.42 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1'-cyano-2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-7-yl)phenyl]acetamide is sourced from PubChem (CID 137479981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).