2-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)quinoline-4-carboxamide;hydrochloride

C22H21ClN4O2 — CID 154888897

IUPAC2-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)quinoline-4-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cc(N2CCC3(CC2)C(=O)Nc2ccccc23)nc2ccccc12
InChIInChI=1S/C22H20N4O2.ClH/c23-20(27)15-13-19(24-17-7-3-1-5-14(15)17)26-11-9-22(10-12-26)16-6-2-4-8-18(16)25-21(22)28;/h1-8,13H,9-12H2,(H2,23,27)(H,25,28);1H
InChIKeySVYWBXVFPTVWLE-UHFFFAOYSA-N
MW408.89 g/mol
LogP3.25
Rot. Bonds2

About 2-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)quinoline-4-carboxamide;hydrochloride

2-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)quinoline-4-carboxamide;hydrochloride (PubChem CID 154888897) has the molecular formula C22H21ClN4O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is 2-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)quinoline-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)quinoline-4-carboxamide;hydrochloride
PubChem CID154888897
Molecular FormulaC22H21ClN4O2
Molecular Weight408.89 g/mol
Exact Mass408.14
IUPAC Name2-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)quinoline-4-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cc(N2CCC3(CC2)C(=O)Nc2ccccc23)nc2ccccc12
InChIInChI=1S/C22H20N4O2.ClH/c23-20(27)15-13-19(24-17-7-3-1-5-14(15)17)26-11-9-22(10-12-26)16-6-2-4-8-18(16)25-21(22)28;/h1-8,13H,9-12H2,(H2,23,27)(H,25,28);1H
InChIKeySVYWBXVFPTVWLE-UHFFFAOYSA-N
XLogP3.25
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)quinoline-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)quinoline-4-carboxamide;hydrochloride (CID 154888897) is 2-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)quinoline-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)quinoline-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)quinoline-4-carboxamide;hydrochloride is Cl.NC(=O)c1cc(N2CCC3(CC2)C(=O)Nc2ccccc23)nc2ccccc12.
What is the InChIKey of 2-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)quinoline-4-carboxamide;hydrochloride?
The InChIKey is SVYWBXVFPTVWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2.ClH/c23-20(27)15-13-19(24-17-7-3-1-5-14(15)17)26-11-9-22(10-12-26)16-6-2-4-8-18(16)25-21(22)28;/h1-8,13H,9-12H2,(H2,23,27)(H,25,28);1H.
What are the key properties of 2-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)quinoline-4-carboxamide;hydrochloride?
2-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)quinoline-4-carboxamide;hydrochloride has a molecular weight of 408.89 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)quinoline-4-carboxamide;hydrochloride is sourced from PubChem (CID 154888897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).