4-N-(furan-2-ylmethyl)-2-N-(4-methylphenyl)quinazoline-2,4-diamine

C20H18N4O — CID 886392

IUPAC4-N-(furan-2-ylmethyl)-2-N-(4-methylphenyl)quinazoline-2,4-diamine
SMILESCc1ccc(Nc2nc(NCc3ccco3)c3ccccc3n2)cc1
InChIInChI=1S/C20H18N4O/c1-14-8-10-15(11-9-14)22-20-23-18-7-3-2-6-17(18)19(24-20)21-13-16-5-4-12-25-16/h2-12H,13H2,1H3,(H2,21,22,23,24)
InChIKeyQSFYOSRVGYLIAE-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.89
Rot. Bonds5

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

4-N-(furan-2-ylmethyl)-2-N-(4-methylphenyl)quinazoline-2,4-diamine (PubChem CID 886392) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-N-(furan-2-ylmethyl)-2-N-(4-methylphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(furan-2-ylmethyl)-2-N-(4-methylphenyl)quinazoline-2,4-diamine
PubChem CID886392
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name4-N-(furan-2-ylmethyl)-2-N-(4-methylphenyl)quinazoline-2,4-diamine
SMILESCc1ccc(Nc2nc(NCc3ccco3)c3ccccc3n2)cc1
InChIInChI=1S/C20H18N4O/c1-14-8-10-15(11-9-14)22-20-23-18-7-3-2-6-17(18)19(24-20)21-13-16-5-4-12-25-16/h2-12H,13H2,1H3,(H2,21,22,23,24)
InChIKeyQSFYOSRVGYLIAE-UHFFFAOYSA-N
XLogP4.89
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(4-methylphenyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-(furan-2-ylmethyl)-2-N-(4-methylphenyl)quinazoline-2,4-diamine (CID 886392) is 4-N-(furan-2-ylmethyl)-2-N-(4-methylphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(furan-2-ylmethyl)-2-N-(4-methylphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(furan-2-ylmethyl)-2-N-(4-methylphenyl)quinazoline-2,4-diamine is Cc1ccc(Nc2nc(NCc3ccco3)c3ccccc3n2)cc1.
What is the InChIKey of 4-N-(furan-2-ylmethyl)-2-N-(4-methylphenyl)quinazoline-2,4-diamine?
The InChIKey is QSFYOSRVGYLIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-14-8-10-15(11-9-14)22-20-23-18-7-3-2-6-17(18)19(24-20)21-13-16-5-4-12-25-16/h2-12H,13H2,1H3,(H2,21,22,23,24).
What are the key properties of 4-N-(furan-2-ylmethyl)-2-N-(4-methylphenyl)quinazoline-2,4-diamine?
4-N-(furan-2-ylmethyl)-2-N-(4-methylphenyl)quinazoline-2,4-diamine has a molecular weight of 330.39 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(furan-2-ylmethyl)-2-N-(4-methylphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 886392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).