8-(1,3-benzoxazol-5-yl)-5-propan-2-yl-3H-dioxolo[3,4-g]quinazolin-6-one

C19H15N3O4 — CID 23505631

IUPAC8-(1,3-benzoxazol-5-yl)-5-propan-2-yl-3H-dioxolo[3,4-g]quinazolin-6-one
SMILESCC(C)n1c(=O)nc(-c2ccc3ocnc3c2)c2cc3c(cc21)COO3
InChIInChI=1S/C19H15N3O4/c1-10(2)22-15-6-12-8-25-26-17(12)7-13(15)18(21-19(22)23)11-3-4-16-14(5-11)20-9-24-16/h3-7,9-10H,8H2,1-2H3
InChIKeyWJNFVDBJEQFBEE-UHFFFAOYSA-N
MW349.35 g/mol
LogP3.61
Rot. Bonds2

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

8-(1,3-benzoxazol-5-yl)-5-propan-2-yl-3H-dioxolo[3,4-g]quinazolin-6-one (PubChem CID 23505631) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is 8-(1,3-benzoxazol-5-yl)-5-propan-2-yl-3H-dioxolo[3,4-g]quinazolin-6-one.

Molecular Properties

Compound Name8-(1,3-benzoxazol-5-yl)-5-propan-2-yl-3H-dioxolo[3,4-g]quinazolin-6-one
PubChem CID23505631
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC Name8-(1,3-benzoxazol-5-yl)-5-propan-2-yl-3H-dioxolo[3,4-g]quinazolin-6-one
SMILESCC(C)n1c(=O)nc(-c2ccc3ocnc3c2)c2cc3c(cc21)COO3
InChIInChI=1S/C19H15N3O4/c1-10(2)22-15-6-12-8-25-26-17(12)7-13(15)18(21-19(22)23)11-3-4-16-14(5-11)20-9-24-16/h3-7,9-10H,8H2,1-2H3
InChIKeyWJNFVDBJEQFBEE-UHFFFAOYSA-N
XLogP3.61
TPSA79.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 8-(1,3-benzoxazol-5-yl)-5-propan-2-yl-3H-dioxolo[3,4-g]quinazolin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(1,3-benzoxazol-5-yl)-5-propan-2-yl-3H-dioxolo[3,4-g]quinazolin-6-one?
The IUPAC name of 8-(1,3-benzoxazol-5-yl)-5-propan-2-yl-3H-dioxolo[3,4-g]quinazolin-6-one (CID 23505631) is 8-(1,3-benzoxazol-5-yl)-5-propan-2-yl-3H-dioxolo[3,4-g]quinazolin-6-one.
What is the SMILES notation for 8-(1,3-benzoxazol-5-yl)-5-propan-2-yl-3H-dioxolo[3,4-g]quinazolin-6-one?
The canonical SMILES for 8-(1,3-benzoxazol-5-yl)-5-propan-2-yl-3H-dioxolo[3,4-g]quinazolin-6-one is CC(C)n1c(=O)nc(-c2ccc3ocnc3c2)c2cc3c(cc21)COO3.
What is the InChIKey of 8-(1,3-benzoxazol-5-yl)-5-propan-2-yl-3H-dioxolo[3,4-g]quinazolin-6-one?
The InChIKey is WJNFVDBJEQFBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c1-10(2)22-15-6-12-8-25-26-17(12)7-13(15)18(21-19(22)23)11-3-4-16-14(5-11)20-9-24-16/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 8-(1,3-benzoxazol-5-yl)-5-propan-2-yl-3H-dioxolo[3,4-g]quinazolin-6-one?
8-(1,3-benzoxazol-5-yl)-5-propan-2-yl-3H-dioxolo[3,4-g]quinazolin-6-one has a molecular weight of 349.35 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,3-benzoxazol-5-yl)-5-propan-2-yl-3H-dioxolo[3,4-g]quinazolin-6-one is sourced from PubChem (CID 23505631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).