N-(3-fluoro-4-methylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine

C22H18FN3O — CID 20963104

IUPACN-(3-fluoro-4-methylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine
SMILESCOc1ccc(-c2nc(Nc3ccc(C)c(F)c3)c3ccccc3n2)cc1
InChIInChI=1S/C22H18FN3O/c1-14-7-10-16(13-19(14)23)24-22-18-5-3-4-6-20(18)25-21(26-22)15-8-11-17(27-2)12-9-15/h3-13H,1-2H3,(H,24,25,26)
InChIKeyHUNCQEFODOZAKB-UHFFFAOYSA-N
MW359.40 g/mol
LogP5.50
Rot. Bonds4

About N-(3-fluoro-4-methylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine

N-(3-fluoro-4-methylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine (PubChem CID 20963104) has the molecular formula C22H18FN3O and a molecular weight of 359.40 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine
PubChem CID20963104
Molecular FormulaC22H18FN3O
Molecular Weight359.40 g/mol
Exact Mass359.14
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine
SMILESCOc1ccc(-c2nc(Nc3ccc(C)c(F)c3)c3ccccc3n2)cc1
InChIInChI=1S/C22H18FN3O/c1-14-7-10-16(13-19(14)23)24-22-18-5-3-4-6-20(18)25-21(26-22)15-8-11-17(27-2)12-9-15/h3-13H,1-2H3,(H,24,25,26)
InChIKeyHUNCQEFODOZAKB-UHFFFAOYSA-N
XLogP5.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.40
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine (CID 20963104) is N-(3-fluoro-4-methylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine is COc1ccc(-c2nc(Nc3ccc(C)c(F)c3)c3ccccc3n2)cc1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine?
The InChIKey is HUNCQEFODOZAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O/c1-14-7-10-16(13-19(14)23)24-22-18-5-3-4-6-20(18)25-21(26-22)15-8-11-17(27-2)12-9-15/h3-13H,1-2H3,(H,24,25,26).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine?
N-(3-fluoro-4-methylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine has a molecular weight of 359.40 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 20963104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).