8-(1,3-benzodioxol-5-yl)-5-propan-2-yl-8H-[1,3]dioxolo[4,5-g]quinazoline

C19H18N2O4 — CID 54197091

IUPAC8-(1,3-benzodioxol-5-yl)-5-propan-2-yl-8H-[1,3]dioxolo[4,5-g]quinazoline
SMILESCC(C)N1C=NC(c2ccc3c(c2)OCO3)c2cc3c(cc21)OCO3
InChIInChI=1S/C19H18N2O4/c1-11(2)21-8-20-19(12-3-4-15-16(5-12)23-9-22-15)13-6-17-18(7-14(13)21)25-10-24-17/h3-8,11,19H,9-10H2,1-2H3
InChIKeyPMPCIBVVTXZRHF-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.49
Rot. Bonds2

About 8-(1,3-benzodioxol-5-yl)-5-propan-2-yl-8H-[1,3]dioxolo[4,5-g]quinazoline

8-(1,3-benzodioxol-5-yl)-5-propan-2-yl-8H-[1,3]dioxolo[4,5-g]quinazoline (PubChem CID 54197091) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 8-(1,3-benzodioxol-5-yl)-5-propan-2-yl-8H-[1,3]dioxolo[4,5-g]quinazoline.

Molecular Properties

Compound Name8-(1,3-benzodioxol-5-yl)-5-propan-2-yl-8H-[1,3]dioxolo[4,5-g]quinazoline
PubChem CID54197091
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name8-(1,3-benzodioxol-5-yl)-5-propan-2-yl-8H-[1,3]dioxolo[4,5-g]quinazoline
SMILESCC(C)N1C=NC(c2ccc3c(c2)OCO3)c2cc3c(cc21)OCO3
InChIInChI=1S/C19H18N2O4/c1-11(2)21-8-20-19(12-3-4-15-16(5-12)23-9-22-15)13-6-17-18(7-14(13)21)25-10-24-17/h3-8,11,19H,9-10H2,1-2H3
InChIKeyPMPCIBVVTXZRHF-UHFFFAOYSA-N
XLogP3.49
TPSA52.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-(1,3-benzodioxol-5-yl)-5-propan-2-yl-8H-[1,3]dioxolo[4,5-g]quinazoline 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-benzodioxol-5-yl)-5-propan-2-yl-8H-[1,3]dioxolo[4,5-g]quinazoline?
The IUPAC name of 8-(1,3-benzodioxol-5-yl)-5-propan-2-yl-8H-[1,3]dioxolo[4,5-g]quinazoline (CID 54197091) is 8-(1,3-benzodioxol-5-yl)-5-propan-2-yl-8H-[1,3]dioxolo[4,5-g]quinazoline.
What is the SMILES notation for 8-(1,3-benzodioxol-5-yl)-5-propan-2-yl-8H-[1,3]dioxolo[4,5-g]quinazoline?
The canonical SMILES for 8-(1,3-benzodioxol-5-yl)-5-propan-2-yl-8H-[1,3]dioxolo[4,5-g]quinazoline is CC(C)N1C=NC(c2ccc3c(c2)OCO3)c2cc3c(cc21)OCO3.
What is the InChIKey of 8-(1,3-benzodioxol-5-yl)-5-propan-2-yl-8H-[1,3]dioxolo[4,5-g]quinazoline?
The InChIKey is PMPCIBVVTXZRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-11(2)21-8-20-19(12-3-4-15-16(5-12)23-9-22-15)13-6-17-18(7-14(13)21)25-10-24-17/h3-8,11,19H,9-10H2,1-2H3.
What are the key properties of 8-(1,3-benzodioxol-5-yl)-5-propan-2-yl-8H-[1,3]dioxolo[4,5-g]quinazoline?
8-(1,3-benzodioxol-5-yl)-5-propan-2-yl-8H-[1,3]dioxolo[4,5-g]quinazoline has a molecular weight of 338.36 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,3-benzodioxol-5-yl)-5-propan-2-yl-8H-[1,3]dioxolo[4,5-g]quinazoline is sourced from PubChem (CID 54197091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).