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

C19H15ClN4O — CID 1333189

IUPAC2-N-(4-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine
SMILESClc1ccc(Nc2nc(NCc3ccco3)c3ccccc3n2)cc1
InChIInChI=1S/C19H15ClN4O/c20-13-7-9-14(10-8-13)22-19-23-17-6-2-1-5-16(17)18(24-19)21-12-15-4-3-11-25-15/h1-11H,12H2,(H2,21,22,23,24)
InChIKeyOQWVYQGPDGGMSS-UHFFFAOYSA-N
MW350.81 g/mol
LogP5.23
Rot. Bonds5

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

2-N-(4-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine (PubChem CID 1333189) has the molecular formula C19H15ClN4O and a molecular weight of 350.81 g/mol. Its IUPAC name is 2-N-(4-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine
PubChem CID1333189
Molecular FormulaC19H15ClN4O
Molecular Weight350.81 g/mol
Exact Mass350.09
IUPAC Name2-N-(4-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine
SMILESClc1ccc(Nc2nc(NCc3ccco3)c3ccccc3n2)cc1
InChIInChI=1S/C19H15ClN4O/c20-13-7-9-14(10-8-13)22-19-23-17-6-2-1-5-16(17)18(24-19)21-12-15-4-3-11-25-15/h1-11H,12H2,(H2,21,22,23,24)
InChIKeyOQWVYQGPDGGMSS-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

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-(4-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine (CID 1333189) is 2-N-(4-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(4-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-(4-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine is Clc1ccc(Nc2nc(NCc3ccco3)c3ccccc3n2)cc1.
What is the InChIKey of 2-N-(4-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine?
The InChIKey is OQWVYQGPDGGMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O/c20-13-7-9-14(10-8-13)22-19-23-17-6-2-1-5-16(17)18(24-19)21-12-15-4-3-11-25-15/h1-11H,12H2,(H2,21,22,23,24).
What are the key properties of 2-N-(4-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine?
2-N-(4-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-(4-chlorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 1333189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).