4-(4,4-diphenyl-1H-quinazolin-2-yl)-N,N-dimethylaniline

C28H25N3 — CID 91972388

IUPAC4-(4,4-diphenyl-1H-quinazolin-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2=NC(c3ccccc3)(c3ccccc3)c3ccccc3N2)cc1
InChIInChI=1S/C28H25N3/c1-31(2)24-19-17-21(18-20-24)27-29-26-16-10-9-15-25(26)28(30-27,22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-20H,1-2H3,(H,29,30)
InChIKeyWZIWXEAADBMBLF-UHFFFAOYSA-N
MW403.53 g/mol
LogP5.92
Rot. Bonds4

About 4-(4,4-diphenyl-1H-quinazolin-2-yl)-N,N-dimethylaniline

4-(4,4-diphenyl-1H-quinazolin-2-yl)-N,N-dimethylaniline (PubChem CID 91972388) has the molecular formula C28H25N3 and a molecular weight of 403.53 g/mol. Its IUPAC name is 4-(4,4-diphenyl-1H-quinazolin-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(4,4-diphenyl-1H-quinazolin-2-yl)-N,N-dimethylaniline
PubChem CID91972388
Molecular FormulaC28H25N3
Molecular Weight403.53 g/mol
Exact Mass403.20
IUPAC Name4-(4,4-diphenyl-1H-quinazolin-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2=NC(c3ccccc3)(c3ccccc3)c3ccccc3N2)cc1
InChIInChI=1S/C28H25N3/c1-31(2)24-19-17-21(18-20-24)27-29-26-16-10-9-15-25(26)28(30-27,22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-20H,1-2H3,(H,29,30)
InChIKeyWZIWXEAADBMBLF-UHFFFAOYSA-N
XLogP5.92
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-phenyl-1H-perimidine
CID 376354
N-(4-methylphenyl)-3,4-dihydroquinolin-2-amine
CID 780384
(N1,N1'Z,N1,N1'Z)-N1,N1'-(isoindoline-1,3-diylidene)bis(N4,N4-dimethylbenzene-1,4-diamine)
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2,4,4-Triphenyl-3,4-dihydroquinazoline
CID 3981605
N,N-dibenzyl-6-(4-tert-butylphenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoquinolin-10-amine
CID 10625555
3-[2,6-Di(propan-2-yl)phenyl]-2-methylquinazolin-4-imine
CID 122226452
2,3-Diphenylquinazolin-4-imine;hydrochloride
CID 137632875
3-[2,6-Di(propan-2-yl)phenyl]-2-phenylquinazolin-4-imine
CID 137659629

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-diphenyl-1H-quinazolin-2-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(4,4-diphenyl-1H-quinazolin-2-yl)-N,N-dimethylaniline (CID 91972388) is 4-(4,4-diphenyl-1H-quinazolin-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(4,4-diphenyl-1H-quinazolin-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(4,4-diphenyl-1H-quinazolin-2-yl)-N,N-dimethylaniline is CN(C)c1ccc(C2=NC(c3ccccc3)(c3ccccc3)c3ccccc3N2)cc1.
What is the InChIKey of 4-(4,4-diphenyl-1H-quinazolin-2-yl)-N,N-dimethylaniline?
The InChIKey is WZIWXEAADBMBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3/c1-31(2)24-19-17-21(18-20-24)27-29-26-16-10-9-15-25(26)28(30-27,22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-20H,1-2H3,(H,29,30).
What are the key properties of 4-(4,4-diphenyl-1H-quinazolin-2-yl)-N,N-dimethylaniline?
4-(4,4-diphenyl-1H-quinazolin-2-yl)-N,N-dimethylaniline has a molecular weight of 403.53 g/mol, XLogP of 5.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-diphenyl-1H-quinazolin-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 91972388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).