6-chloro-3'-[3-(6-chloro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)propyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

C26H26Cl2N4O4 — CID 10208637

IUPAC6-chloro-3'-[3-(6-chloro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)propyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1Nc2ccc(Cl)cc2C2(CCN(CCCN3C(=O)NC4(CCc5cc(Cl)ccc54)C3=O)CC2)O1
InChIInChI=1S/C26H26Cl2N4O4/c27-17-2-4-19-16(14-17)6-7-26(19)22(33)32(23(34)30-26)11-1-10-31-12-8-25(9-13-31)20-15-18(28)3-5-21(20)29-24(35)36-25/h2-5,14-15H,1,6-13H2,(H,29,35)(H,30,34)
InChIKeyYNWLPCYCIUQLKY-UHFFFAOYSA-N
MW529.42 g/mol
LogP4.63
Rot. Bonds4

About 6-chloro-3'-[3-(6-chloro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)propyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

6-chloro-3'-[3-(6-chloro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)propyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 10208637) has the molecular formula C26H26Cl2N4O4 and a molecular weight of 529.42 g/mol. Its IUPAC name is 6-chloro-3'-[3-(6-chloro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)propyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name6-chloro-3'-[3-(6-chloro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)propyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
PubChem CID10208637
Molecular FormulaC26H26Cl2N4O4
Molecular Weight529.42 g/mol
Exact Mass528.13
IUPAC Name6-chloro-3'-[3-(6-chloro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)propyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1Nc2ccc(Cl)cc2C2(CCN(CCCN3C(=O)NC4(CCc5cc(Cl)ccc54)C3=O)CC2)O1
InChIInChI=1S/C26H26Cl2N4O4/c27-17-2-4-19-16(14-17)6-7-26(19)22(33)32(23(34)30-26)11-1-10-31-12-8-25(9-13-31)20-15-18(28)3-5-21(20)29-24(35)36-25/h2-5,14-15H,1,6-13H2,(H,29,35)(H,30,34)
InChIKeyYNWLPCYCIUQLKY-UHFFFAOYSA-N
XLogP4.63
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.42
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3'-[3-(6-chloro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)propyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 6-chloro-3'-[3-(6-chloro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)propyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (CID 10208637) is 6-chloro-3'-[3-(6-chloro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)propyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 6-chloro-3'-[3-(6-chloro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)propyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 6-chloro-3'-[3-(6-chloro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)propyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is O=C1Nc2ccc(Cl)cc2C2(CCN(CCCN3C(=O)NC4(CCc5cc(Cl)ccc54)C3=O)CC2)O1.
What is the InChIKey of 6-chloro-3'-[3-(6-chloro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)propyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is YNWLPCYCIUQLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N4O4/c27-17-2-4-19-16(14-17)6-7-26(19)22(33)32(23(34)30-26)11-1-10-31-12-8-25(9-13-31)20-15-18(28)3-5-21(20)29-24(35)36-25/h2-5,14-15H,1,6-13H2,(H,29,35)(H,30,34).
What are the key properties of 6-chloro-3'-[3-(6-chloro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)propyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
6-chloro-3'-[3-(6-chloro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)propyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 529.42 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3'-[3-(6-chloro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)propyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 10208637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).