5-fluoro-N-(3-methoxyphenyl)quinazolin-4-amine

C15H12FN3O — CID 141103872

IUPAC5-fluoro-N-(3-methoxyphenyl)quinazolin-4-amine
SMILESCOc1cccc(Nc2ncnc3cccc(F)c23)c1
InChIInChI=1S/C15H12FN3O/c1-20-11-5-2-4-10(8-11)19-15-14-12(16)6-3-7-13(14)17-9-18-15/h2-9H,1H3,(H,17,18,19)
InChIKeyBNJCKMBSPJZVCP-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.52
Rot. Bonds3

About 5-fluoro-N-(3-methoxyphenyl)quinazolin-4-amine

5-fluoro-N-(3-methoxyphenyl)quinazolin-4-amine (PubChem CID 141103872) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 5-fluoro-N-(3-methoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name5-fluoro-N-(3-methoxyphenyl)quinazolin-4-amine
PubChem CID141103872
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name5-fluoro-N-(3-methoxyphenyl)quinazolin-4-amine
SMILESCOc1cccc(Nc2ncnc3cccc(F)c23)c1
InChIInChI=1S/C15H12FN3O/c1-20-11-5-2-4-10(8-11)19-15-14-12(16)6-3-7-13(14)17-9-18-15/h2-9H,1H3,(H,17,18,19)
InChIKeyBNJCKMBSPJZVCP-UHFFFAOYSA-N
XLogP3.52
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-N-(3-methoxyphenyl)quinazolin-4-amine
CID 21003078
6-bromo-N-(3-methoxyphenyl)quinazolin-4-amine
CID 709498
4-N-(2,5-difluorophenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543980
N-(3-chloro-4-pyridin-3-yloxyphenyl)-5-fluoroquinazolin-4-amine
CID 69028468
5-fluoro-2-N,4-N-bis(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 22061080
4-N-(2,4-difluorophenyl)-6-N-(3-methoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 23482538
6-N-(2-chloroethyl)-4-N-(3-methoxyphenyl)quinazoline-4,6-diamine
CID 166972075
6-chloro-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine
CID 11694491
6-N-(3-methoxyphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 22543892
4-N-(5-chloro-2-pyridinyl)-6-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543893
5-ethoxy-N-(3-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-amine
CID 122417781
5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 123445272

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(3-methoxyphenyl)quinazolin-4-amine?
The IUPAC name of 5-fluoro-N-(3-methoxyphenyl)quinazolin-4-amine (CID 141103872) is 5-fluoro-N-(3-methoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for 5-fluoro-N-(3-methoxyphenyl)quinazolin-4-amine?
The canonical SMILES for 5-fluoro-N-(3-methoxyphenyl)quinazolin-4-amine is COc1cccc(Nc2ncnc3cccc(F)c23)c1.
What is the InChIKey of 5-fluoro-N-(3-methoxyphenyl)quinazolin-4-amine?
The InChIKey is BNJCKMBSPJZVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c1-20-11-5-2-4-10(8-11)19-15-14-12(16)6-3-7-13(14)17-9-18-15/h2-9H,1H3,(H,17,18,19).
What are the key properties of 5-fluoro-N-(3-methoxyphenyl)quinazolin-4-amine?
5-fluoro-N-(3-methoxyphenyl)quinazolin-4-amine has a molecular weight of 269.28 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(3-methoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 141103872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).