5-(1-Methylethyl)-8-phenyl-1,3-dioxolo(4,5-g)quinazolin-6(5H)-one

HCID 36331

Notes Reactions

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Basic information

CAS: 33095-89-5
Standard SMILES: CC(C)n1c(=O)nc(-c2ccccc2)c2cc3c(cc21)OCO3
InChIKey: FITUMOSFDCKONA-UHFFFAOYSA-N
Molecular formula: C18H16N2O3
Average molar mass: 308.3 g/mol
Monoisotopic mass: 308.11609237

Names & identifiers

Preferred name: 5-(1-Methylethyl)-8-phenyl-1,3-dioxolo(4,5-g)quinazolin-6(5H)-one
IUPAC: 8-phenyl-5-propan-2-yl-[1,3]dioxolo[4,5-g]quinazolin-6-one

Names & synonyms

33095-89-51,3-DIOXOLO(4,5-g)QUINAZOLIN-6(5H)-ONE, 5-(1-METHYLETHYL)-8-PHENYL-8CSN7K32WRNSC-320002DTXSID601867535-(1-Methylethyl)-8-phenyl-1,3-dioxolo(4,5-g)quinazolin-6(5H)-oneRefChem:1072348DTXCID00109244NSC320002MLS0031159925-Isopropyl-8-phenyl-[1,3]dioxolo[4,5-g]quinazolin-6(5H)-oneNSC 320002

Show more names

BRN 05629575-Isopropyl-8-phenyl-1,3-dioxolo(4,5-g)quinazolin-6(5H)-oneUNII-8CSN7K32WRCHEMBL13412SCHEMBL3522604FITUMOSFDCKONA-UHFFFAOYSA-NSMR0018315505-isopropyl-8-phenyl-[1,3]dioxolo[4,5-g]quinazolin-6-one

Database identifiers

CAS: 33095-89-5
PubChem CID: 36331
DTXSID: DTXSID60186753
ChEMBL: CHEMBL13412
UNII: 8CSN7K32WR

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 51.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 23
Formal charge: 0
Complexity: 498

Related reactions

2 records

New reaction record

HRID 1284158As productuspto-grants-1976_08

HRID 1973433As productuspto-grants-1976_12

Compound notes

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