2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine

C17H17N3O3 — CID 67327308

IUPAC2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
SMILESCOc1cc(-c2nc(N)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C17H17N3O3/c1-21-13-8-10(9-14(22-2)15(13)23-3)17-19-12-7-5-4-6-11(12)16(18)20-17/h4-9H,1-3H3,(H2,18,19,20)
InChIKeyVPJFBADDYLLRDF-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.90
Rot. Bonds4

About 2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine

2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine (PubChem CID 67327308) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
PubChem CID67327308
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
SMILESCOc1cc(-c2nc(N)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C17H17N3O3/c1-21-13-8-10(9-14(22-2)15(13)23-3)17-19-12-7-5-4-6-11(12)16(18)20-17/h4-9H,1-3H3,(H2,18,19,20)
InChIKeyVPJFBADDYLLRDF-UHFFFAOYSA-N
XLogP2.90
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine?
The IUPAC name of 2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine (CID 67327308) is 2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for 2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine?
The canonical SMILES for 2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine is COc1cc(-c2nc(N)c3ccccc3n2)cc(OC)c1OC.
What is the InChIKey of 2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine?
The InChIKey is VPJFBADDYLLRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-21-13-8-10(9-14(22-2)15(13)23-3)17-19-12-7-5-4-6-11(12)16(18)20-17/h4-9H,1-3H3,(H2,18,19,20).
What are the key properties of 2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine?
2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine has a molecular weight of 311.34 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 67327308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).