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

C22H19FN4 — CID 91963377

IUPAC4-N-[(4-fluorophenyl)methyl]-2-N-(2-methylphenyl)quinazoline-2,4-diamine
SMILESCc1ccccc1Nc1nc(NCc2ccc(F)cc2)c2ccccc2n1
InChIInChI=1S/C22H19FN4/c1-15-6-2-4-8-19(15)25-22-26-20-9-5-3-7-18(20)21(27-22)24-14-16-10-12-17(23)13-11-16/h2-13H,14H2,1H3,(H2,24,25,26,27)
InChIKeyURCBSASDWJJKCU-UHFFFAOYSA-N
MW358.42 g/mol
LogP5.43
Rot. Bonds5

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

4-N-[(4-fluorophenyl)methyl]-2-N-(2-methylphenyl)quinazoline-2,4-diamine (PubChem CID 91963377) has the molecular formula C22H19FN4 and a molecular weight of 358.42 g/mol. Its IUPAC name is 4-N-[(4-fluorophenyl)methyl]-2-N-(2-methylphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-[(4-fluorophenyl)methyl]-2-N-(2-methylphenyl)quinazoline-2,4-diamine
PubChem CID91963377
Molecular FormulaC22H19FN4
Molecular Weight358.42 g/mol
Exact Mass358.16
IUPAC Name4-N-[(4-fluorophenyl)methyl]-2-N-(2-methylphenyl)quinazoline-2,4-diamine
SMILESCc1ccccc1Nc1nc(NCc2ccc(F)cc2)c2ccccc2n1
InChIInChI=1S/C22H19FN4/c1-15-6-2-4-8-19(15)25-22-26-20-9-5-3-7-18(20)21(27-22)24-14-16-10-12-17(23)13-11-16/h2-13H,14H2,1H3,(H2,24,25,26,27)
InChIKeyURCBSASDWJJKCU-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

2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;ethanol
CID 19988726
2-N-[4-(dimethylamino)phenyl]-4-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine
CID 91963396
4-N-benzyl-2-N-(3-fluoro-5-methylphenyl)quinazoline-2,4-diamine
CID 46224524
4-methyl-2-[[4-[(4-methylphenyl)methylamino]quinazolin-2-yl]amino]phenol
CID 71690802
4-N-(2-ethylphenyl)-2-N-(2-methylphenyl)quinazoline-2,4-diamine;hydrochloride
CID 19988733
1-[3-[[4-[(4-fluorophenyl)methylamino]quinazolin-2-yl]amino]phenyl]ethanone
CID 91963399
2-N-cyclohexyl-4-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine
CID 91963512
2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 71690865
2-N-(4-fluorophenyl)-4-N-propylquinazoline-2,4-diamine
CID 91966173
4-N-[(4-chlorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine
CID 80750131
4-N-(4-fluoro-2-methylphenyl)-2-N-methylquinazoline-2,4-diamine
CID 80750488
2-N-(2-fluorophenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
CID 170946131

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-fluorophenyl)methyl]-2-N-(2-methylphenyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-[(4-fluorophenyl)methyl]-2-N-(2-methylphenyl)quinazoline-2,4-diamine (CID 91963377) is 4-N-[(4-fluorophenyl)methyl]-2-N-(2-methylphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-[(4-fluorophenyl)methyl]-2-N-(2-methylphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-[(4-fluorophenyl)methyl]-2-N-(2-methylphenyl)quinazoline-2,4-diamine is Cc1ccccc1Nc1nc(NCc2ccc(F)cc2)c2ccccc2n1.
What is the InChIKey of 4-N-[(4-fluorophenyl)methyl]-2-N-(2-methylphenyl)quinazoline-2,4-diamine?
The InChIKey is URCBSASDWJJKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4/c1-15-6-2-4-8-19(15)25-22-26-20-9-5-3-7-18(20)21(27-22)24-14-16-10-12-17(23)13-11-16/h2-13H,14H2,1H3,(H2,24,25,26,27).
What are the key properties of 4-N-[(4-fluorophenyl)methyl]-2-N-(2-methylphenyl)quinazoline-2,4-diamine?
4-N-[(4-fluorophenyl)methyl]-2-N-(2-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-[(4-fluorophenyl)methyl]-2-N-(2-methylphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 91963377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).