2-(2-fluorophenyl)-N-(3-methoxyphenyl)quinazolin-4-amine

C21H16FN3O — CID 757186

IUPAC2-(2-fluorophenyl)-N-(3-methoxyphenyl)quinazolin-4-amine
SMILESCOc1cccc(Nc2nc(-c3ccccc3F)nc3ccccc23)c1
InChIInChI=1S/C21H16FN3O/c1-26-15-8-6-7-14(13-15)23-21-17-10-3-5-12-19(17)24-20(25-21)16-9-2-4-11-18(16)22/h2-13H,1H3,(H,23,24,25)
InChIKeyUDINFPKKCQYLOU-UHFFFAOYSA-N
MW345.38 g/mol
LogP5.19
Rot. Bonds4

About 2-(2-fluorophenyl)-N-(3-methoxyphenyl)quinazolin-4-amine

2-(2-fluorophenyl)-N-(3-methoxyphenyl)quinazolin-4-amine (PubChem CID 757186) has the molecular formula C21H16FN3O and a molecular weight of 345.38 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-(3-methoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-(3-methoxyphenyl)quinazolin-4-amine
PubChem CID757186
Molecular FormulaC21H16FN3O
Molecular Weight345.38 g/mol
Exact Mass345.13
IUPAC Name2-(2-fluorophenyl)-N-(3-methoxyphenyl)quinazolin-4-amine
SMILESCOc1cccc(Nc2nc(-c3ccccc3F)nc3ccccc23)c1
InChIInChI=1S/C21H16FN3O/c1-26-15-8-6-7-14(13-15)23-21-17-10-3-5-12-19(17)24-20(25-21)16-9-2-4-11-18(16)22/h2-13H,1H3,(H,23,24,25)
InChIKeyUDINFPKKCQYLOU-UHFFFAOYSA-N
XLogP5.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.38
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)quinazolin-4-amine
CID 1393536
N-(3-methoxyphenyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine
CID 53030111
2-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)quinazolin-4-amine
CID 4523898
N,2-bis(2-fluorophenyl)quinazolin-4-amine
CID 757185
N-(3-fluoro-4-methylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine
CID 20963104
N-[3-[2-(2-fluorophenyl)quinazolin-4-yl]oxyphenyl]acetamide
CID 2929675
N-(2-bromo-4-methylphenyl)-2-(2-fluorophenyl)quinazolin-4-amine
CID 3428781
5-fluoro-N-(3-methoxyphenyl)quinazolin-4-amine
CID 141103872
N-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine
CID 20963225
N-[[4-[[4-(3-methoxyanilino)quinazolin-2-yl]amino]phenyl]methyl]methanesulfonamide
CID 54460110
3-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]benzoic acid
CID 71691164
4-N-(3-methoxyphenyl)-2-N-(4-piperidin-1-ylphenyl)quinazoline-2,4-diamine
CID 54514405

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-(3-methoxyphenyl)quinazolin-4-amine?
The IUPAC name of 2-(2-fluorophenyl)-N-(3-methoxyphenyl)quinazolin-4-amine (CID 757186) is 2-(2-fluorophenyl)-N-(3-methoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for 2-(2-fluorophenyl)-N-(3-methoxyphenyl)quinazolin-4-amine?
The canonical SMILES for 2-(2-fluorophenyl)-N-(3-methoxyphenyl)quinazolin-4-amine is COc1cccc(Nc2nc(-c3ccccc3F)nc3ccccc23)c1.
What is the InChIKey of 2-(2-fluorophenyl)-N-(3-methoxyphenyl)quinazolin-4-amine?
The InChIKey is UDINFPKKCQYLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O/c1-26-15-8-6-7-14(13-15)23-21-17-10-3-5-12-19(17)24-20(25-21)16-9-2-4-11-18(16)22/h2-13H,1H3,(H,23,24,25).
What are the key properties of 2-(2-fluorophenyl)-N-(3-methoxyphenyl)quinazolin-4-amine?
2-(2-fluorophenyl)-N-(3-methoxyphenyl)quinazolin-4-amine has a molecular weight of 345.38 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-(3-methoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 757186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).