4-N-benzyl-2-N-(3-fluoro-5-methylphenyl)quinazoline-2,4-diamine

C22H19FN4 — CID 46224524

IUPAC4-N-benzyl-2-N-(3-fluoro-5-methylphenyl)quinazoline-2,4-diamine
SMILESCc1cc(F)cc(Nc2nc(NCc3ccccc3)c3ccccc3n2)c1
InChIInChI=1S/C22H19FN4/c1-15-11-17(23)13-18(12-15)25-22-26-20-10-6-5-9-19(20)21(27-22)24-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H2,24,25,26,27)
InChIKeyKLBIUALNOWBZAJ-UHFFFAOYSA-N
MW358.42 g/mol
LogP5.43
Rot. Bonds5

About 4-N-benzyl-2-N-(3-fluoro-5-methylphenyl)quinazoline-2,4-diamine

4-N-benzyl-2-N-(3-fluoro-5-methylphenyl)quinazoline-2,4-diamine (PubChem CID 46224524) has the molecular formula C22H19FN4 and a molecular weight of 358.42 g/mol. Its IUPAC name is 4-N-benzyl-2-N-(3-fluoro-5-methylphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-(3-fluoro-5-methylphenyl)quinazoline-2,4-diamine
PubChem CID46224524
Molecular FormulaC22H19FN4
Molecular Weight358.42 g/mol
Exact Mass358.16
IUPAC Name4-N-benzyl-2-N-(3-fluoro-5-methylphenyl)quinazoline-2,4-diamine
SMILESCc1cc(F)cc(Nc2nc(NCc3ccccc3)c3ccccc3n2)c1
InChIInChI=1S/C22H19FN4/c1-15-11-17(23)13-18(12-15)25-22-26-20-10-6-5-9-19(20)21(27-22)24-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H2,24,25,26,27)
InChIKeyKLBIUALNOWBZAJ-UHFFFAOYSA-N
XLogP5.43
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.42
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(4-fluorophenyl)methyl]-2-N-(2-methylphenyl)quinazoline-2,4-diamine
CID 91963377
2-N-[4-(dimethylamino)phenyl]-4-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine
CID 91963396
4-N-[(1R)-1-cyclopropylpropyl]-2-N-(3-fluoro-5-methylphenyl)quinazoline-2,4-diamine
CID 161354853
4-N-benzyl-2-N-(3-chlorophenyl)quinazoline-2,4-diamine;hydrochloride
CID 44658873
2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 71690865
1-[3-[[4-[(4-fluorophenyl)methylamino]quinazolin-2-yl]amino]phenyl]ethanone
CID 91963399
4-methyl-2-[[4-[(4-methylphenyl)methylamino]quinazolin-2-yl]amino]phenol
CID 71690802
2-N-(3-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690518
methyl 4-[[4-[(4-methylphenyl)methylamino]quinazolin-2-yl]amino]benzoate
CID 71690791
N-[(3-fluorophenyl)methyl]-2-methylquinazolin-4-amine
CID 69221219
4-N-[(4-methoxyphenyl)methyl]-2-N-pyridin-4-ylquinazoline-2,4-diamine
CID 71690909
2-N-(4-fluorophenyl)-4-N-propylquinazoline-2,4-diamine
CID 91966173

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-(3-fluoro-5-methylphenyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N-(3-fluoro-5-methylphenyl)quinazoline-2,4-diamine (CID 46224524) is 4-N-benzyl-2-N-(3-fluoro-5-methylphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N-(3-fluoro-5-methylphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N-(3-fluoro-5-methylphenyl)quinazoline-2,4-diamine is Cc1cc(F)cc(Nc2nc(NCc3ccccc3)c3ccccc3n2)c1.
What is the InChIKey of 4-N-benzyl-2-N-(3-fluoro-5-methylphenyl)quinazoline-2,4-diamine?
The InChIKey is KLBIUALNOWBZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4/c1-15-11-17(23)13-18(12-15)25-22-26-20-10-6-5-9-19(20)21(27-22)24-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H2,24,25,26,27).
What are the key properties of 4-N-benzyl-2-N-(3-fluoro-5-methylphenyl)quinazoline-2,4-diamine?
4-N-benzyl-2-N-(3-fluoro-5-methylphenyl)quinazoline-2,4-diamine has a molecular weight of 358.42 g/mol, XLogP of 5.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-(3-fluoro-5-methylphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 46224524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).