(7S)-1'-methyl-2-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)methyl]spiro[6,8-dihydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione

C26H23N5O3 — CID 46885186

IUPAC(7S)-1'-methyl-2-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)methyl]spiro[6,8-dihydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione
SMILESCN1C(=O)NC(=O)[C@@]12Cc1cc3ccc(CN4CC5CC(=O)Nc6cccc4c65)nc3cc1C2
InChIInChI=1S/C26H23N5O3/c1-30-25(34)29-24(33)26(30)10-15-7-14-5-6-18(27-20(14)8-16(15)11-26)13-31-12-17-9-22(32)28-19-3-2-4-21(31)23(17)19/h2-8,17H,9-13H2,1H3,(H,28,32)(H,29,33,34)/t17?,26-/m0/s1
InChIKeyBKBXKZHHJMLDJU-KKFPZRRJSA-N
MW453.50 g/mol
LogP2.70
Rot. Bonds2

About (7S)-1'-methyl-2-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)methyl]spiro[6,8-dihydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione

(7S)-1'-methyl-2-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)methyl]spiro[6,8-dihydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione (PubChem CID 46885186) has the molecular formula C26H23N5O3 and a molecular weight of 453.50 g/mol. Its IUPAC name is (7S)-1'-methyl-2-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)methyl]spiro[6,8-dihydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(7S)-1'-methyl-2-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)methyl]spiro[6,8-dihydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione
PubChem CID46885186
Molecular FormulaC26H23N5O3
Molecular Weight453.50 g/mol
Exact Mass453.18
IUPAC Name(7S)-1'-methyl-2-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)methyl]spiro[6,8-dihydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione
SMILESCN1C(=O)NC(=O)[C@@]12Cc1cc3ccc(CN4CC5CC(=O)Nc6cccc4c65)nc3cc1C2
InChIInChI=1S/C26H23N5O3/c1-30-25(34)29-24(33)26(30)10-15-7-14-5-6-18(27-20(14)8-16(15)11-26)13-31-12-17-9-22(32)28-19-3-2-4-21(31)23(17)19/h2-8,17H,9-13H2,1H3,(H,28,32)(H,29,33,34)/t17?,26-/m0/s1
InChIKeyBKBXKZHHJMLDJU-KKFPZRRJSA-N
XLogP2.70
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (7S)-1'-methyl-2-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)methyl]spiro[6,8-dihydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7S)-1'-methyl-2-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)methyl]spiro[6,8-dihydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (7S)-1'-methyl-2-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)methyl]spiro[6,8-dihydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione (CID 46885186) is (7S)-1'-methyl-2-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)methyl]spiro[6,8-dihydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (7S)-1'-methyl-2-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)methyl]spiro[6,8-dihydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (7S)-1'-methyl-2-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)methyl]spiro[6,8-dihydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione is CN1C(=O)NC(=O)[C@@]12Cc1cc3ccc(CN4CC5CC(=O)Nc6cccc4c65)nc3cc1C2.
What is the InChIKey of (7S)-1'-methyl-2-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)methyl]spiro[6,8-dihydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione?
The InChIKey is BKBXKZHHJMLDJU-KKFPZRRJSA-N. The full InChI is InChI=1S/C26H23N5O3/c1-30-25(34)29-24(33)26(30)10-15-7-14-5-6-18(27-20(14)8-16(15)11-26)13-31-12-17-9-22(32)28-19-3-2-4-21(31)23(17)19/h2-8,17H,9-13H2,1H3,(H,28,32)(H,29,33,34)/t17?,26-/m0/s1.
What are the key properties of (7S)-1'-methyl-2-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)methyl]spiro[6,8-dihydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione?
(7S)-1'-methyl-2-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)methyl]spiro[6,8-dihydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione has a molecular weight of 453.50 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-1'-methyl-2-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)methyl]spiro[6,8-dihydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 46885186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).