5-(3-chlorophenyl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine

C22H19ClN4 — CID 69188136

IUPAC5-(3-chlorophenyl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine
SMILESNc1nc(NCCc2ccccc2)nc2cccc(-c3cccc(Cl)c3)c12
InChIInChI=1S/C22H19ClN4/c23-17-9-4-8-16(14-17)18-10-5-11-19-20(18)21(24)27-22(26-19)25-13-12-15-6-2-1-3-7-15/h1-11,14H,12-13H2,(H3,24,25,26,27)
InChIKeyXDKUTZMJFNTKHP-UHFFFAOYSA-N
MW374.88 g/mol
LogP5.19
Rot. Bonds5

About 5-(3-chlorophenyl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine

5-(3-chlorophenyl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine (PubChem CID 69188136) has the molecular formula C22H19ClN4 and a molecular weight of 374.88 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine
PubChem CID69188136
Molecular FormulaC22H19ClN4
Molecular Weight374.88 g/mol
Exact Mass374.13
IUPAC Name5-(3-chlorophenyl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine
SMILESNc1nc(NCCc2ccccc2)nc2cccc(-c3cccc(Cl)c3)c12
InChIInChI=1S/C22H19ClN4/c23-17-9-4-8-16(14-17)18-10-5-11-19-20(18)21(24)27-22(26-19)25-13-12-15-6-2-1-3-7-15/h1-11,14H,12-13H2,(H3,24,25,26,27)
InChIKeyXDKUTZMJFNTKHP-UHFFFAOYSA-N
XLogP5.19
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.88
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine?
The IUPAC name of 5-(3-chlorophenyl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine (CID 69188136) is 5-(3-chlorophenyl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 5-(3-chlorophenyl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine?
The canonical SMILES for 5-(3-chlorophenyl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine is Nc1nc(NCCc2ccccc2)nc2cccc(-c3cccc(Cl)c3)c12.
What is the InChIKey of 5-(3-chlorophenyl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine?
The InChIKey is XDKUTZMJFNTKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4/c23-17-9-4-8-16(14-17)18-10-5-11-19-20(18)21(24)27-22(26-19)25-13-12-15-6-2-1-3-7-15/h1-11,14H,12-13H2,(H3,24,25,26,27).
What are the key properties of 5-(3-chlorophenyl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine?
5-(3-chlorophenyl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine has a molecular weight of 374.88 g/mol, XLogP of 5.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 69188136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).