4-N-(furan-2-ylmethyl)-2-N-(3-methoxyphenyl)quinazoline-2,4-diamine

C20H18N4O2 — CID 39861393

IUPAC4-N-(furan-2-ylmethyl)-2-N-(3-methoxyphenyl)quinazoline-2,4-diamine
SMILESCOc1cccc(Nc2nc(NCc3ccco3)c3ccccc3n2)c1
InChIInChI=1S/C20H18N4O2/c1-25-15-7-4-6-14(12-15)22-20-23-18-10-3-2-9-17(18)19(24-20)21-13-16-8-5-11-26-16/h2-12H,13H2,1H3,(H2,21,22,23,24)
InChIKeyWQUMNGATZIEFHV-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.59
Rot. Bonds6

About 4-N-(furan-2-ylmethyl)-2-N-(3-methoxyphenyl)quinazoline-2,4-diamine

4-N-(furan-2-ylmethyl)-2-N-(3-methoxyphenyl)quinazoline-2,4-diamine (PubChem CID 39861393) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-N-(furan-2-ylmethyl)-2-N-(3-methoxyphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(furan-2-ylmethyl)-2-N-(3-methoxyphenyl)quinazoline-2,4-diamine
PubChem CID39861393
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name4-N-(furan-2-ylmethyl)-2-N-(3-methoxyphenyl)quinazoline-2,4-diamine
SMILESCOc1cccc(Nc2nc(NCc3ccco3)c3ccccc3n2)c1
InChIInChI=1S/C20H18N4O2/c1-25-15-7-4-6-14(12-15)22-20-23-18-10-3-2-9-17(18)19(24-20)21-13-16-8-5-11-26-16/h2-12H,13H2,1H3,(H2,21,22,23,24)
InChIKeyWQUMNGATZIEFHV-UHFFFAOYSA-N
XLogP4.59
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'melamine_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-(furan-2-ylmethyl)-2-N-(3-methoxyphenyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-(furan-2-ylmethyl)-2-N-(3-methoxyphenyl)quinazoline-2,4-diamine (CID 39861393) is 4-N-(furan-2-ylmethyl)-2-N-(3-methoxyphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(furan-2-ylmethyl)-2-N-(3-methoxyphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(furan-2-ylmethyl)-2-N-(3-methoxyphenyl)quinazoline-2,4-diamine is COc1cccc(Nc2nc(NCc3ccco3)c3ccccc3n2)c1.
What is the InChIKey of 4-N-(furan-2-ylmethyl)-2-N-(3-methoxyphenyl)quinazoline-2,4-diamine?
The InChIKey is WQUMNGATZIEFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-25-15-7-4-6-14(12-15)22-20-23-18-10-3-2-9-17(18)19(24-20)21-13-16-8-5-11-26-16/h2-12H,13H2,1H3,(H2,21,22,23,24).
What are the key properties of 4-N-(furan-2-ylmethyl)-2-N-(3-methoxyphenyl)quinazoline-2,4-diamine?
4-N-(furan-2-ylmethyl)-2-N-(3-methoxyphenyl)quinazoline-2,4-diamine has a molecular weight of 346.39 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(furan-2-ylmethyl)-2-N-(3-methoxyphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 39861393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).