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

C19H15ClN4O — CID 1285085

IUPAC2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine
SMILESClc1cccc(Nc2nc(NCc3ccco3)c3ccccc3n2)c1
InChIInChI=1S/C19H15ClN4O/c20-13-5-3-6-14(11-13)22-19-23-17-9-2-1-8-16(17)18(24-19)21-12-15-7-4-10-25-15/h1-11H,12H2,(H2,21,22,23,24)
InChIKeyKLRNKMZSARWWTH-UHFFFAOYSA-N
MW350.81 g/mol
LogP5.23
Rot. Bonds5

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

2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine (PubChem CID 1285085) has the molecular formula C19H15ClN4O and a molecular weight of 350.81 g/mol. Its IUPAC name is 2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine
PubChem CID1285085
Molecular FormulaC19H15ClN4O
Molecular Weight350.81 g/mol
Exact Mass350.09
IUPAC Name2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine
SMILESClc1cccc(Nc2nc(NCc3ccco3)c3ccccc3n2)c1
InChIInChI=1S/C19H15ClN4O/c20-13-5-3-6-14(11-13)22-19-23-17-9-2-1-8-16(17)18(24-19)21-12-15-7-4-10-25-15/h1-11H,12H2,(H2,21,22,23,24)
InChIKeyKLRNKMZSARWWTH-UHFFFAOYSA-N
XLogP5.23
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.81
LogP ≤ 55.23
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 2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine (CID 1285085) is 2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine is Clc1cccc(Nc2nc(NCc3ccco3)c3ccccc3n2)c1.
What is the InChIKey of 2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine?
The InChIKey is KLRNKMZSARWWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O/c20-13-5-3-6-14(11-13)22-19-23-17-9-2-1-8-16(17)18(24-19)21-12-15-7-4-10-25-15/h1-11H,12H2,(H2,21,22,23,24).
What are the key properties of 2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine?
2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine has a molecular weight of 350.81 g/mol, XLogP of 5.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 1285085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).