5-ethoxy-N-(3-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-amine

C19H19N3O4 — CID 122417781

IUPAC5-ethoxy-N-(3-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-amine
SMILESCCOc1cc2ncnc(Nc3cccc(OC)c3)c2c2c1OCCO2
InChIInChI=1S/C19H19N3O4/c1-3-24-15-10-14-16(18-17(15)25-7-8-26-18)19(21-11-20-14)22-12-5-4-6-13(9-12)23-2/h4-6,9-11H,3,7-8H2,1-2H3,(H,20,21,22)
InChIKeyPJADTLKXGYODKV-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.55
Rot. Bonds5

About 5-ethoxy-N-(3-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-amine

5-ethoxy-N-(3-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-amine (PubChem CID 122417781) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 5-ethoxy-N-(3-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-amine.

Molecular Properties

Compound Name5-ethoxy-N-(3-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-amine
PubChem CID122417781
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name5-ethoxy-N-(3-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-amine
SMILESCCOc1cc2ncnc(Nc3cccc(OC)c3)c2c2c1OCCO2
InChIInChI=1S/C19H19N3O4/c1-3-24-15-10-14-16(18-17(15)25-7-8-26-18)19(21-11-20-14)22-12-5-4-6-13(9-12)23-2/h4-6,9-11H,3,7-8H2,1-2H3,(H,20,21,22)
InChIKeyPJADTLKXGYODKV-UHFFFAOYSA-N
XLogP3.55
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N-(3-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-amine?
The IUPAC name of 5-ethoxy-N-(3-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-amine (CID 122417781) is 5-ethoxy-N-(3-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-amine.
What is the SMILES notation for 5-ethoxy-N-(3-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-amine?
The canonical SMILES for 5-ethoxy-N-(3-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-amine is CCOc1cc2ncnc(Nc3cccc(OC)c3)c2c2c1OCCO2.
What is the InChIKey of 5-ethoxy-N-(3-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-amine?
The InChIKey is PJADTLKXGYODKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-3-24-15-10-14-16(18-17(15)25-7-8-26-18)19(21-11-20-14)22-12-5-4-6-13(9-12)23-2/h4-6,9-11H,3,7-8H2,1-2H3,(H,20,21,22).
What are the key properties of 5-ethoxy-N-(3-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-amine?
5-ethoxy-N-(3-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-amine has a molecular weight of 353.38 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-(3-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-amine is sourced from PubChem (CID 122417781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).