1'-methyl-2',5'-dioxospiro[6,8-dihydrocyclopenta[g]quinoline-7,4'-imidazolidine]-2-carbaldehyde

C16H13N3O3 — CID 87099262

IUPAC1'-methyl-2',5'-dioxospiro[6,8-dihydrocyclopenta[g]quinoline-7,4'-imidazolidine]-2-carbaldehyde
SMILESCN1C(=O)NC2(Cc3cc4ccc(C=O)nc4cc3C2)C1=O
InChIInChI=1S/C16H13N3O3/c1-19-14(21)16(18-15(19)22)6-10-4-9-2-3-12(8-20)17-13(9)5-11(10)7-16/h2-5,8H,6-7H2,1H3,(H,18,22)
InChIKeyOIDGMAZGMIQQGE-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.07
Rot. Bonds1

About 1'-methyl-2',5'-dioxospiro[6,8-dihydrocyclopenta[g]quinoline-7,4'-imidazolidine]-2-carbaldehyde

1'-methyl-2',5'-dioxospiro[6,8-dihydrocyclopenta[g]quinoline-7,4'-imidazolidine]-2-carbaldehyde (PubChem CID 87099262) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 1'-methyl-2',5'-dioxospiro[6,8-dihydrocyclopenta[g]quinoline-7,4'-imidazolidine]-2-carbaldehyde.

Molecular Properties

Compound Name1'-methyl-2',5'-dioxospiro[6,8-dihydrocyclopenta[g]quinoline-7,4'-imidazolidine]-2-carbaldehyde
PubChem CID87099262
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name1'-methyl-2',5'-dioxospiro[6,8-dihydrocyclopenta[g]quinoline-7,4'-imidazolidine]-2-carbaldehyde
SMILESCN1C(=O)NC2(Cc3cc4ccc(C=O)nc4cc3C2)C1=O
InChIInChI=1S/C16H13N3O3/c1-19-14(21)16(18-15(19)22)6-10-4-9-2-3-12(8-20)17-13(9)5-11(10)7-16/h2-5,8H,6-7H2,1H3,(H,18,22)
InChIKeyOIDGMAZGMIQQGE-UHFFFAOYSA-N
XLogP1.07
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1'-methyl-2',5'-dioxospiro[6,8-dihydrocyclopenta[g]quinoline-7,4'-imidazolidine]-2-carbaldehyde?
The IUPAC name of 1'-methyl-2',5'-dioxospiro[6,8-dihydrocyclopenta[g]quinoline-7,4'-imidazolidine]-2-carbaldehyde (CID 87099262) is 1'-methyl-2',5'-dioxospiro[6,8-dihydrocyclopenta[g]quinoline-7,4'-imidazolidine]-2-carbaldehyde.
What is the SMILES notation for 1'-methyl-2',5'-dioxospiro[6,8-dihydrocyclopenta[g]quinoline-7,4'-imidazolidine]-2-carbaldehyde?
The canonical SMILES for 1'-methyl-2',5'-dioxospiro[6,8-dihydrocyclopenta[g]quinoline-7,4'-imidazolidine]-2-carbaldehyde is CN1C(=O)NC2(Cc3cc4ccc(C=O)nc4cc3C2)C1=O.
What is the InChIKey of 1'-methyl-2',5'-dioxospiro[6,8-dihydrocyclopenta[g]quinoline-7,4'-imidazolidine]-2-carbaldehyde?
The InChIKey is OIDGMAZGMIQQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-19-14(21)16(18-15(19)22)6-10-4-9-2-3-12(8-20)17-13(9)5-11(10)7-16/h2-5,8H,6-7H2,1H3,(H,18,22).
What are the key properties of 1'-methyl-2',5'-dioxospiro[6,8-dihydrocyclopenta[g]quinoline-7,4'-imidazolidine]-2-carbaldehyde?
1'-methyl-2',5'-dioxospiro[6,8-dihydrocyclopenta[g]quinoline-7,4'-imidazolidine]-2-carbaldehyde has a molecular weight of 295.30 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methyl-2',5'-dioxospiro[6,8-dihydrocyclopenta[g]quinoline-7,4'-imidazolidine]-2-carbaldehyde is sourced from PubChem (CID 87099262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).