4-N-cyclohexyl-6-(4-phenylphenyl)quinazoline-2,4-diamine

C26H26N4 — CID 69014350

IUPAC4-N-cyclohexyl-6-(4-phenylphenyl)quinazoline-2,4-diamine
SMILESNc1nc(NC2CCCCC2)c2cc(-c3ccc(-c4ccccc4)cc3)ccc2n1
InChIInChI=1S/C26H26N4/c27-26-29-24-16-15-21(17-23(24)25(30-26)28-22-9-5-2-6-10-22)20-13-11-19(12-14-20)18-7-3-1-4-8-18/h1,3-4,7-8,11-17,22H,2,5-6,9-10H2,(H3,27,28,29,30)
InChIKeyLFNGIGLZJIXQOP-UHFFFAOYSA-N
MW394.52 g/mol
LogP6.29
Rot. Bonds4

About 4-N-cyclohexyl-6-(4-phenylphenyl)quinazoline-2,4-diamine

4-N-cyclohexyl-6-(4-phenylphenyl)quinazoline-2,4-diamine (PubChem CID 69014350) has the molecular formula C26H26N4 and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-N-cyclohexyl-6-(4-phenylphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-6-(4-phenylphenyl)quinazoline-2,4-diamine
PubChem CID69014350
Molecular FormulaC26H26N4
Molecular Weight394.52 g/mol
Exact Mass394.22
IUPAC Name4-N-cyclohexyl-6-(4-phenylphenyl)quinazoline-2,4-diamine
SMILESNc1nc(NC2CCCCC2)c2cc(-c3ccc(-c4ccccc4)cc3)ccc2n1
InChIInChI=1S/C26H26N4/c27-26-29-24-16-15-21(17-23(24)25(30-26)28-22-9-5-2-6-10-22)20-13-11-19(12-14-20)18-7-3-1-4-8-18/h1,3-4,7-8,11-17,22H,2,5-6,9-10H2,(H3,27,28,29,30)
InChIKeyLFNGIGLZJIXQOP-UHFFFAOYSA-N
XLogP6.29
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-6-(4-phenylphenyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-cyclohexyl-6-(4-phenylphenyl)quinazoline-2,4-diamine (CID 69014350) is 4-N-cyclohexyl-6-(4-phenylphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-cyclohexyl-6-(4-phenylphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-cyclohexyl-6-(4-phenylphenyl)quinazoline-2,4-diamine is Nc1nc(NC2CCCCC2)c2cc(-c3ccc(-c4ccccc4)cc3)ccc2n1.
What is the InChIKey of 4-N-cyclohexyl-6-(4-phenylphenyl)quinazoline-2,4-diamine?
The InChIKey is LFNGIGLZJIXQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4/c27-26-29-24-16-15-21(17-23(24)25(30-26)28-22-9-5-2-6-10-22)20-13-11-19(12-14-20)18-7-3-1-4-8-18/h1,3-4,7-8,11-17,22H,2,5-6,9-10H2,(H3,27,28,29,30).
What are the key properties of 4-N-cyclohexyl-6-(4-phenylphenyl)quinazoline-2,4-diamine?
4-N-cyclohexyl-6-(4-phenylphenyl)quinazoline-2,4-diamine has a molecular weight of 394.52 g/mol, XLogP of 6.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-6-(4-phenylphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 69014350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).