N-(1,3-benzodioxol-5-yl)-6,7-dimethoxyquinazolin-4-amine

C17H15N3O4 — CID 1474861

IUPACN-(1,3-benzodioxol-5-yl)-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc4c(c3)OCO4)c2cc1OC
InChIInChI=1S/C17H15N3O4/c1-21-14-6-11-12(7-15(14)22-2)18-8-19-17(11)20-10-3-4-13-16(5-10)24-9-23-13/h3-8H,9H2,1-2H3,(H,18,19,20)
InChIKeyRXCOORSCJFAIDB-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.12
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-6,7-dimethoxyquinazolin-4-amine

N-(1,3-benzodioxol-5-yl)-6,7-dimethoxyquinazolin-4-amine (PubChem CID 1474861) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-6,7-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-6,7-dimethoxyquinazolin-4-amine
PubChem CID1474861
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc4c(c3)OCO4)c2cc1OC
InChIInChI=1S/C17H15N3O4/c1-21-14-6-11-12(7-15(14)22-2)18-8-19-17(11)20-10-3-4-13-16(5-10)24-9-23-13/h3-8H,9H2,1-2H3,(H,18,19,20)
InChIKeyRXCOORSCJFAIDB-UHFFFAOYSA-N
XLogP3.12
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-6,7-dimethoxyquinazolin-4-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-6,7-dimethoxyquinazolin-4-amine (CID 1474861) is N-(1,3-benzodioxol-5-yl)-6,7-dimethoxyquinazolin-4-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-6,7-dimethoxyquinazolin-4-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-6,7-dimethoxyquinazolin-4-amine is COc1cc2ncnc(Nc3ccc4c(c3)OCO4)c2cc1OC.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-6,7-dimethoxyquinazolin-4-amine?
The InChIKey is RXCOORSCJFAIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-21-14-6-11-12(7-15(14)22-2)18-8-19-17(11)20-10-3-4-13-16(5-10)24-9-23-13/h3-8H,9H2,1-2H3,(H,18,19,20).
What are the key properties of N-(1,3-benzodioxol-5-yl)-6,7-dimethoxyquinazolin-4-amine?
N-(1,3-benzodioxol-5-yl)-6,7-dimethoxyquinazolin-4-amine has a molecular weight of 325.32 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-6,7-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 1474861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).