2-N-[4-(dimethylamino)phenyl]-4-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine

C23H22FN5 — CID 91963396

IUPAC2-N-[4-(dimethylamino)phenyl]-4-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine
SMILESCN(C)c1ccc(Nc2nc(NCc3ccc(F)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C23H22FN5/c1-29(2)19-13-11-18(12-14-19)26-23-27-21-6-4-3-5-20(21)22(28-23)25-15-16-7-9-17(24)10-8-16/h3-14H,15H2,1-2H3,(H2,25,26,27,28)
InChIKeyLNYBZAMOKCETJG-UHFFFAOYSA-N
MW387.46 g/mol
LogP5.19
Rot. Bonds6

About 2-N-[4-(dimethylamino)phenyl]-4-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine

2-N-[4-(dimethylamino)phenyl]-4-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine (PubChem CID 91963396) has the molecular formula C23H22FN5 and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-N-[4-(dimethylamino)phenyl]-4-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-(dimethylamino)phenyl]-4-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine
PubChem CID91963396
Molecular FormulaC23H22FN5
Molecular Weight387.46 g/mol
Exact Mass387.19
IUPAC Name2-N-[4-(dimethylamino)phenyl]-4-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine
SMILESCN(C)c1ccc(Nc2nc(NCc3ccc(F)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C23H22FN5/c1-29(2)19-13-11-18(12-14-19)26-23-27-21-6-4-3-5-20(21)22(28-23)25-15-16-7-9-17(24)10-8-16/h3-14H,15H2,1-2H3,(H2,25,26,27,28)
InChIKeyLNYBZAMOKCETJG-UHFFFAOYSA-N
XLogP5.19
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.46
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 71690865
4-N-[(4-fluorophenyl)methyl]-2-N-(2-methylphenyl)quinazoline-2,4-diamine
CID 91963377
2-N-(4-fluorophenyl)-4-N-propylquinazoline-2,4-diamine
CID 91966173
2-N-[4-(dimethylamino)phenyl]-4-N-(2-methoxyethyl)quinazoline-2,4-diamine
CID 91963816
4-N-benzyl-2-N-(3-fluoro-5-methylphenyl)quinazoline-2,4-diamine
CID 46224524
1-[3-[[4-[(4-fluorophenyl)methylamino]quinazolin-2-yl]amino]phenyl]ethanone
CID 91963399
2-N-(4-fluorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720007
2-N-(4-fluorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963526
2-N-(4-fluorophenyl)-4-N-methylquinazoline-2,4-diamine;hydrochloride
CID 146065336
4-N-[(4-methoxyphenyl)methyl]-2-N-pyridin-4-ylquinazoline-2,4-diamine
CID 71690909
methyl 4-[[4-[(4-methylphenyl)methylamino]quinazolin-2-yl]amino]benzoate
CID 71690791
2-N-cyclohexyl-4-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine
CID 91963512

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(dimethylamino)phenyl]-4-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine?
The IUPAC name of 2-N-[4-(dimethylamino)phenyl]-4-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine (CID 91963396) is 2-N-[4-(dimethylamino)phenyl]-4-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-[4-(dimethylamino)phenyl]-4-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine?
The canonical SMILES for 2-N-[4-(dimethylamino)phenyl]-4-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine is CN(C)c1ccc(Nc2nc(NCc3ccc(F)cc3)c3ccccc3n2)cc1.
What is the InChIKey of 2-N-[4-(dimethylamino)phenyl]-4-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine?
The InChIKey is LNYBZAMOKCETJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5/c1-29(2)19-13-11-18(12-14-19)26-23-27-21-6-4-3-5-20(21)22(28-23)25-15-16-7-9-17(24)10-8-16/h3-14H,15H2,1-2H3,(H2,25,26,27,28).
What are the key properties of 2-N-[4-(dimethylamino)phenyl]-4-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine?
2-N-[4-(dimethylamino)phenyl]-4-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine has a molecular weight of 387.46 g/mol, XLogP of 5.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(dimethylamino)phenyl]-4-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine is sourced from PubChem (CID 91963396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).