12,12-Dimethyl-3,11,15-triazapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2,4,6,8,16,18,20-octaene-10,22-dione

HCID 336499

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Basic information

CAS: 66665-73-4
Standard SMILES: CC1(C)Cc2[nH]c3ccccc3c(=O)c2-c2nc3ccccc3c(=O)n21
InChIKey: ZXCNMLLWPOHHKH-UHFFFAOYSA-N
Molecular formula: C21H17N3O2
Average molar mass: 343.4 g/mol
Monoisotopic mass: 343.13207679

Names & identifiers

Preferred name: 12,12-Dimethyl-3,11,15-triazapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2,4,6,8,16,18,20-octaene-10,22-dione
IUPAC: 12,12-dimethyl-3,11,15-triazapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2,4,6,8,16,18,20-octaene-10,22-dione

Names & synonyms

NSC35115366665-73-4DTXSID60319822NSC-3511537,7-Dimethyl-7H-benzo[2,3][1,6]naphthyridino[5,6-b]quinazoline-9,15(5H,6H)-dione15-Hydroxy-7,7-dimethyl-6,7-dihydro-9H-benzo[2,3][1,6]naphthyridino[5,6-b]quinazolin-9-one

Database identifiers

CAS: 66665-73-4
PubChem CID: 336499
DTXSID: DTXSID60319822

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 61.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 26
Formal charge: 0
Complexity: 736

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