8-fluoro-N-(4-propan-2-ylphenyl)quinazolin-4-amine

C17H16FN3 — CID 110434658

IUPAC8-fluoro-N-(4-propan-2-ylphenyl)quinazolin-4-amine
SMILESCC(C)c1ccc(Nc2ncnc3c(F)cccc23)cc1
InChIInChI=1S/C17H16FN3/c1-11(2)12-6-8-13(9-7-12)21-17-14-4-3-5-15(18)16(14)19-10-20-17/h3-11H,1-2H3,(H,19,20,21)
InChIKeyMDKPIXFOKDYCGG-UHFFFAOYSA-N
MW281.33 g/mol
LogP4.64
Rot. Bonds3

About 8-fluoro-N-(4-propan-2-ylphenyl)quinazolin-4-amine

8-fluoro-N-(4-propan-2-ylphenyl)quinazolin-4-amine (PubChem CID 110434658) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 8-fluoro-N-(4-propan-2-ylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name8-fluoro-N-(4-propan-2-ylphenyl)quinazolin-4-amine
PubChem CID110434658
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name8-fluoro-N-(4-propan-2-ylphenyl)quinazolin-4-amine
SMILESCC(C)c1ccc(Nc2ncnc3c(F)cccc23)cc1
InChIInChI=1S/C17H16FN3/c1-11(2)12-6-8-13(9-7-12)21-17-14-4-3-5-15(18)16(14)19-10-20-17/h3-11H,1-2H3,(H,19,20,21)
InChIKeyMDKPIXFOKDYCGG-UHFFFAOYSA-N
XLogP4.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-8-fluoroquinazolin-4-amine
CID 110434734
8-fluoro-N-(2-fluorophenyl)quinazolin-4-amine
CID 110434659
N-(2-chlorophenyl)-8-fluoroquinazolin-4-amine
CID 110434661
7-chloro-N-(4-propan-2-ylphenyl)quinazolin-4-amine
CID 1475072
8-fluoro-N-[3-(methoxymethyl)phenyl]quinazolin-4-amine
CID 119045645
N-(2,4-difluorophenyl)-8-fluoroquinazolin-4-amine
CID 110434738
7-methyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 110875068
1-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 22590091
7,8-difluoro-N-phenylquinazolin-4-amine
CID 166377180
6-hydrazinyl-5-propan-2-yl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 80912556
2-fluoro-N-(4-propan-2-ylphenyl)aniline
CID 155290026
8-fluoro-N-(2,2,2-trifluoroethyl)quinazolin-4-amine
CID 89487428

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-(4-propan-2-ylphenyl)quinazolin-4-amine?
The IUPAC name of 8-fluoro-N-(4-propan-2-ylphenyl)quinazolin-4-amine (CID 110434658) is 8-fluoro-N-(4-propan-2-ylphenyl)quinazolin-4-amine.
What is the SMILES notation for 8-fluoro-N-(4-propan-2-ylphenyl)quinazolin-4-amine?
The canonical SMILES for 8-fluoro-N-(4-propan-2-ylphenyl)quinazolin-4-amine is CC(C)c1ccc(Nc2ncnc3c(F)cccc23)cc1.
What is the InChIKey of 8-fluoro-N-(4-propan-2-ylphenyl)quinazolin-4-amine?
The InChIKey is MDKPIXFOKDYCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-11(2)12-6-8-13(9-7-12)21-17-14-4-3-5-15(18)16(14)19-10-20-17/h3-11H,1-2H3,(H,19,20,21).
What are the key properties of 8-fluoro-N-(4-propan-2-ylphenyl)quinazolin-4-amine?
8-fluoro-N-(4-propan-2-ylphenyl)quinazolin-4-amine has a molecular weight of 281.33 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-(4-propan-2-ylphenyl)quinazolin-4-amine is sourced from PubChem (CID 110434658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).