2-(4-fluorophenyl)-N-(4-methylphenyl)quinazolin-4-amine

C21H16FN3 — CID 135058525

IUPAC2-(4-fluorophenyl)-N-(4-methylphenyl)quinazolin-4-amine
SMILESCc1ccc(Nc2nc(-c3ccc(F)cc3)nc3ccccc23)cc1
InChIInChI=1S/C21H16FN3/c1-14-6-12-17(13-7-14)23-21-18-4-2-3-5-19(18)24-20(25-21)15-8-10-16(22)11-9-15/h2-13H,1H3,(H,23,24,25)
InChIKeyIGXCPCLWOLSDCZ-UHFFFAOYSA-N
MW329.38 g/mol
LogP5.49
Rot. Bonds3

About 2-(4-fluorophenyl)-N-(4-methylphenyl)quinazolin-4-amine

2-(4-fluorophenyl)-N-(4-methylphenyl)quinazolin-4-amine (PubChem CID 135058525) has the molecular formula C21H16FN3 and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(4-methylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(4-methylphenyl)quinazolin-4-amine
PubChem CID135058525
Molecular FormulaC21H16FN3
Molecular Weight329.38 g/mol
Exact Mass329.13
IUPAC Name2-(4-fluorophenyl)-N-(4-methylphenyl)quinazolin-4-amine
SMILESCc1ccc(Nc2nc(-c3ccc(F)cc3)nc3ccccc23)cc1
InChIInChI=1S/C21H16FN3/c1-14-6-12-17(13-7-14)23-21-18-4-2-3-5-19(18)24-20(25-21)15-8-10-16(22)11-9-15/h2-13H,1H3,(H,23,24,25)
InChIKeyIGXCPCLWOLSDCZ-UHFFFAOYSA-N
XLogP5.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.38
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-2-(4-nitrophenyl)quinazolin-4-amine
CID 1187236
methyl 4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoate
CID 1187533
ethyl 4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoate
CID 23935083
2-[2-(4-methylanilino)quinolin-3-yl]-N-(4-methylphenyl)quinazolin-4-amine
CID 132500565
N-(4-methylphenyl)phenanthridin-6-amine
CID 156902145
N-(4-methylphenyl)-2-methylsulfanylquinazolin-4-amine
CID 86199310
N-(3-fluoro-4-methylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine
CID 20963104
N-(4-phenoxyphenyl)-2-phenylquinazolin-4-amine
CID 11567274
2-N-methyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine
CID 80761758
N-(4-ethoxyphenyl)-2-phenylquinazolin-4-amine
CID 2459759
methyl 4-[(2-phenylquinazolin-4-yl)amino]benzoate
CID 1183964
N-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine
CID 20963225

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(4-methylphenyl)quinazolin-4-amine?
The IUPAC name of 2-(4-fluorophenyl)-N-(4-methylphenyl)quinazolin-4-amine (CID 135058525) is 2-(4-fluorophenyl)-N-(4-methylphenyl)quinazolin-4-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(4-methylphenyl)quinazolin-4-amine?
The canonical SMILES for 2-(4-fluorophenyl)-N-(4-methylphenyl)quinazolin-4-amine is Cc1ccc(Nc2nc(-c3ccc(F)cc3)nc3ccccc23)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(4-methylphenyl)quinazolin-4-amine?
The InChIKey is IGXCPCLWOLSDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3/c1-14-6-12-17(13-7-14)23-21-18-4-2-3-5-19(18)24-20(25-21)15-8-10-16(22)11-9-15/h2-13H,1H3,(H,23,24,25).
What are the key properties of 2-(4-fluorophenyl)-N-(4-methylphenyl)quinazolin-4-amine?
2-(4-fluorophenyl)-N-(4-methylphenyl)quinazolin-4-amine has a molecular weight of 329.38 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(4-methylphenyl)quinazolin-4-amine is sourced from PubChem (CID 135058525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).