2-[4-(dimethylamino)phenyl]-N-(1,2-diphenylethyl)quinazolin-4-amine

C30H28N4 — CID 121378120

IUPAC2-[4-(dimethylamino)phenyl]-N-(1,2-diphenylethyl)quinazolin-4-amine
SMILESCN(C)c1ccc(-c2nc(NC(Cc3ccccc3)c3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C30H28N4/c1-34(2)25-19-17-24(18-20-25)29-31-27-16-10-9-15-26(27)30(33-29)32-28(23-13-7-4-8-14-23)21-22-11-5-3-6-12-22/h3-20,28H,21H2,1-2H3,(H,31,32,33)
InChIKeyYLGHIEUDNYTLEN-UHFFFAOYSA-N
MW444.58 g/mol
LogP6.76
Rot. Bonds7

About 2-[4-(dimethylamino)phenyl]-N-(1,2-diphenylethyl)quinazolin-4-amine

2-[4-(dimethylamino)phenyl]-N-(1,2-diphenylethyl)quinazolin-4-amine (PubChem CID 121378120) has the molecular formula C30H28N4 and a molecular weight of 444.58 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-N-(1,2-diphenylethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-N-(1,2-diphenylethyl)quinazolin-4-amine
PubChem CID121378120
Molecular FormulaC30H28N4
Molecular Weight444.58 g/mol
Exact Mass444.23
IUPAC Name2-[4-(dimethylamino)phenyl]-N-(1,2-diphenylethyl)quinazolin-4-amine
SMILESCN(C)c1ccc(-c2nc(NC(Cc3ccccc3)c3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C30H28N4/c1-34(2)25-19-17-24(18-20-25)29-31-27-16-10-9-15-26(27)30(33-29)32-28(23-13-7-4-8-14-23)21-22-11-5-3-6-12-22/h3-20,28H,21H2,1-2H3,(H,31,32,33)
InChIKeyYLGHIEUDNYTLEN-UHFFFAOYSA-N
XLogP6.76
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-N-(1,2-diphenylethyl)quinazolin-4-amine?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-N-(1,2-diphenylethyl)quinazolin-4-amine (CID 121378120) is 2-[4-(dimethylamino)phenyl]-N-(1,2-diphenylethyl)quinazolin-4-amine.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-N-(1,2-diphenylethyl)quinazolin-4-amine?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-N-(1,2-diphenylethyl)quinazolin-4-amine is CN(C)c1ccc(-c2nc(NC(Cc3ccccc3)c3ccccc3)c3ccccc3n2)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-N-(1,2-diphenylethyl)quinazolin-4-amine?
The InChIKey is YLGHIEUDNYTLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4/c1-34(2)25-19-17-24(18-20-25)29-31-27-16-10-9-15-26(27)30(33-29)32-28(23-13-7-4-8-14-23)21-22-11-5-3-6-12-22/h3-20,28H,21H2,1-2H3,(H,31,32,33).
What are the key properties of 2-[4-(dimethylamino)phenyl]-N-(1,2-diphenylethyl)quinazolin-4-amine?
2-[4-(dimethylamino)phenyl]-N-(1,2-diphenylethyl)quinazolin-4-amine has a molecular weight of 444.58 g/mol, XLogP of 6.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-N-(1,2-diphenylethyl)quinazolin-4-amine is sourced from PubChem (CID 121378120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).