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

C19H20N2O3 — CID 12789473

IUPAC8-(2-methylphenyl)-5-propan-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one
SMILESCc1ccccc1C1NC(=O)N(C(C)C)c2cc3c(cc21)OCO3
InChIInChI=1S/C19H20N2O3/c1-11(2)21-15-9-17-16(23-10-24-17)8-14(15)18(20-19(21)22)13-7-5-4-6-12(13)3/h4-9,11,18H,10H2,1-3H3,(H,20,22)
InChIKeyZIGOUSVEHDFRJZ-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.75
Rot. Bonds2

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

8-(2-methylphenyl)-5-propan-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one (PubChem CID 12789473) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 8-(2-methylphenyl)-5-propan-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one.

Molecular Properties

Compound Name8-(2-methylphenyl)-5-propan-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one
PubChem CID12789473
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name8-(2-methylphenyl)-5-propan-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one
SMILESCc1ccccc1C1NC(=O)N(C(C)C)c2cc3c(cc21)OCO3
InChIInChI=1S/C19H20N2O3/c1-11(2)21-15-9-17-16(23-10-24-17)8-14(15)18(20-19(21)22)13-7-5-4-6-12(13)3/h4-9,11,18H,10H2,1-3H3,(H,20,22)
InChIKeyZIGOUSVEHDFRJZ-UHFFFAOYSA-N
XLogP3.75
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methylphenyl)-5-propan-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one?
The IUPAC name of 8-(2-methylphenyl)-5-propan-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one (CID 12789473) is 8-(2-methylphenyl)-5-propan-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one.
What is the SMILES notation for 8-(2-methylphenyl)-5-propan-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one?
The canonical SMILES for 8-(2-methylphenyl)-5-propan-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one is Cc1ccccc1C1NC(=O)N(C(C)C)c2cc3c(cc21)OCO3.
What is the InChIKey of 8-(2-methylphenyl)-5-propan-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one?
The InChIKey is ZIGOUSVEHDFRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-11(2)21-15-9-17-16(23-10-24-17)8-14(15)18(20-19(21)22)13-7-5-4-6-12(13)3/h4-9,11,18H,10H2,1-3H3,(H,20,22).
What are the key properties of 8-(2-methylphenyl)-5-propan-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one?
8-(2-methylphenyl)-5-propan-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one has a molecular weight of 324.38 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylphenyl)-5-propan-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one is sourced from PubChem (CID 12789473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).