8-phenyl-5-propan-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one

C18H18N2O3 — CID 12789469

IUPAC8-phenyl-5-propan-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one
SMILESCC(C)N1C(=O)NC(c2ccccc2)c2cc3c(cc21)OCO3
InChIInChI=1S/C18H18N2O3/c1-11(2)20-14-9-16-15(22-10-23-16)8-13(14)17(19-18(20)21)12-6-4-3-5-7-12/h3-9,11,17H,10H2,1-2H3,(H,19,21)
InChIKeyBGWHVLXTNKQMSC-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.44
Rot. Bonds2

About 8-phenyl-5-propan-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one

8-phenyl-5-propan-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one (PubChem CID 12789469) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 8-phenyl-5-propan-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one.

Molecular Properties

Compound Name8-phenyl-5-propan-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one
PubChem CID12789469
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name8-phenyl-5-propan-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one
SMILESCC(C)N1C(=O)NC(c2ccccc2)c2cc3c(cc21)OCO3
InChIInChI=1S/C18H18N2O3/c1-11(2)20-14-9-16-15(22-10-23-16)8-13(14)17(19-18(20)21)12-6-4-3-5-7-12/h3-9,11,17H,10H2,1-2H3,(H,19,21)
InChIKeyBGWHVLXTNKQMSC-UHFFFAOYSA-N
XLogP3.44
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-phenyl-5-propan-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one?
The IUPAC name of 8-phenyl-5-propan-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one (CID 12789469) is 8-phenyl-5-propan-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one.
What is the SMILES notation for 8-phenyl-5-propan-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one?
The canonical SMILES for 8-phenyl-5-propan-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one is CC(C)N1C(=O)NC(c2ccccc2)c2cc3c(cc21)OCO3.
What is the InChIKey of 8-phenyl-5-propan-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one?
The InChIKey is BGWHVLXTNKQMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-11(2)20-14-9-16-15(22-10-23-16)8-13(14)17(19-18(20)21)12-6-4-3-5-7-12/h3-9,11,17H,10H2,1-2H3,(H,19,21).
What are the key properties of 8-phenyl-5-propan-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one?
8-phenyl-5-propan-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one has a molecular weight of 310.35 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-5-propan-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one is sourced from PubChem (CID 12789469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).