4-[[4-(4-fluorophenoxy)phenyl]methyl]quinazolin-2-amine

C21H16FN3O — CID 123262074

IUPAC4-[[4-(4-fluorophenoxy)phenyl]methyl]quinazolin-2-amine
SMILESNc1nc(Cc2ccc(Oc3ccc(F)cc3)cc2)c2ccccc2n1
InChIInChI=1S/C21H16FN3O/c22-15-7-11-17(12-8-15)26-16-9-5-14(6-10-16)13-20-18-3-1-2-4-19(18)24-21(23)25-20/h1-12H,13H2,(H2,23,24,25)
InChIKeyTZMHVBSNXAOYBB-UHFFFAOYSA-N
MW345.38 g/mol
LogP4.73
Rot. Bonds4

About 4-[[4-(4-fluorophenoxy)phenyl]methyl]quinazolin-2-amine

4-[[4-(4-fluorophenoxy)phenyl]methyl]quinazolin-2-amine (PubChem CID 123262074) has the molecular formula C21H16FN3O and a molecular weight of 345.38 g/mol. Its IUPAC name is 4-[[4-(4-fluorophenoxy)phenyl]methyl]quinazolin-2-amine.

Molecular Properties

Compound Name4-[[4-(4-fluorophenoxy)phenyl]methyl]quinazolin-2-amine
PubChem CID123262074
Molecular FormulaC21H16FN3O
Molecular Weight345.38 g/mol
Exact Mass345.13
IUPAC Name4-[[4-(4-fluorophenoxy)phenyl]methyl]quinazolin-2-amine
SMILESNc1nc(Cc2ccc(Oc3ccc(F)cc3)cc2)c2ccccc2n1
InChIInChI=1S/C21H16FN3O/c22-15-7-11-17(12-8-15)26-16-9-5-14(6-10-16)13-20-18-3-1-2-4-19(18)24-21(23)25-20/h1-12H,13H2,(H2,23,24,25)
InChIKeyTZMHVBSNXAOYBB-UHFFFAOYSA-N
XLogP4.73
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenoxy)quinazolin-4-amine
CID 57221110
4-ethylquinazolin-2-amine
CID 10352174
2-amino-N-[2-(4-fluorophenyl)ethyl]quinazoline-4-carboxamide
CID 68506824
2,4-diethyl-3-(4-fluorophenoxy)quinoline
CID 174766627
4-[3-(4-chlorophenoxy)propyl]quinazolin-2-amine
CID 154004906
4-(4-fluorophenoxy)-2-methylquinazoline
CID 101092876
5-benzyl-4,6-bis(4-fluorophenyl)pyrimidin-2-amine
CID 139449779
4-(5-fluoro-2-methylphenoxy)quinazolin-2-amine
CID 102989130
4-[7-(4-methylphenoxy)heptyl]quinazolin-2-amine
CID 154005030
4-(2-fluorophenoxy)quinazolin-2-amine
CID 80864583
[4-(4-fluorophenoxy)phenyl]methanamine;hydrochloride
CID 10308088
N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]-2-phenylacetamide
CID 25403563

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-fluorophenoxy)phenyl]methyl]quinazolin-2-amine?
The IUPAC name of 4-[[4-(4-fluorophenoxy)phenyl]methyl]quinazolin-2-amine (CID 123262074) is 4-[[4-(4-fluorophenoxy)phenyl]methyl]quinazolin-2-amine.
What is the SMILES notation for 4-[[4-(4-fluorophenoxy)phenyl]methyl]quinazolin-2-amine?
The canonical SMILES for 4-[[4-(4-fluorophenoxy)phenyl]methyl]quinazolin-2-amine is Nc1nc(Cc2ccc(Oc3ccc(F)cc3)cc2)c2ccccc2n1.
What is the InChIKey of 4-[[4-(4-fluorophenoxy)phenyl]methyl]quinazolin-2-amine?
The InChIKey is TZMHVBSNXAOYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O/c22-15-7-11-17(12-8-15)26-16-9-5-14(6-10-16)13-20-18-3-1-2-4-19(18)24-21(23)25-20/h1-12H,13H2,(H2,23,24,25).
What are the key properties of 4-[[4-(4-fluorophenoxy)phenyl]methyl]quinazolin-2-amine?
4-[[4-(4-fluorophenoxy)phenyl]methyl]quinazolin-2-amine has a molecular weight of 345.38 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-fluorophenoxy)phenyl]methyl]quinazolin-2-amine is sourced from PubChem (CID 123262074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).