8-fluoro-N-[3-(methoxymethyl)phenyl]quinazolin-4-amine

C16H14FN3O — CID 119045645

IUPAC8-fluoro-N-[3-(methoxymethyl)phenyl]quinazolin-4-amine
SMILESCOCc1cccc(Nc2ncnc3c(F)cccc23)c1
InChIInChI=1S/C16H14FN3O/c1-21-9-11-4-2-5-12(8-11)20-16-13-6-3-7-14(17)15(13)18-10-19-16/h2-8,10H,9H2,1H3,(H,18,19,20)
InChIKeyNRDIFWLZAYZBNN-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.66
Rot. Bonds4

About 8-fluoro-N-[3-(methoxymethyl)phenyl]quinazolin-4-amine

8-fluoro-N-[3-(methoxymethyl)phenyl]quinazolin-4-amine (PubChem CID 119045645) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 8-fluoro-N-[3-(methoxymethyl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name8-fluoro-N-[3-(methoxymethyl)phenyl]quinazolin-4-amine
PubChem CID119045645
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name8-fluoro-N-[3-(methoxymethyl)phenyl]quinazolin-4-amine
SMILESCOCc1cccc(Nc2ncnc3c(F)cccc23)c1
InChIInChI=1S/C16H14FN3O/c1-21-9-11-4-2-5-12(8-11)20-16-13-6-3-7-14(17)15(13)18-10-19-16/h2-8,10H,9H2,1H3,(H,18,19,20)
InChIKeyNRDIFWLZAYZBNN-UHFFFAOYSA-N
XLogP3.66
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-8-fluoroquinazolin-4-amine
CID 110434734
5-bromo-6-hydrazinyl-N-[3-(methoxymethyl)phenyl]pyrimidin-4-amine
CID 114073042
5-fluoro-4-N-[3-(methoxymethyl)phenyl]pyrimidine-2,4-diamine
CID 80802102
6-hydrazinyl-N-[3-(methoxymethyl)phenyl]-5-propan-2-ylpyrimidin-4-amine
CID 80901261
8-fluoro-N-(4-propan-2-ylphenyl)quinazolin-4-amine
CID 110434658
8-fluoro-N-(2-fluorophenyl)quinazolin-4-amine
CID 110434659
N-(2,4-difluorophenyl)-8-fluoroquinazolin-4-amine
CID 110434738
2,3,5,6-tetrafluoro-N-[3-(methoxymethyl)phenyl]pyridin-4-amine
CID 79904677
methyl 2-[3-[(6-fluoroquinazolin-4-yl)amino]phenyl]acetate
CID 133443561
N-[4-[(2,6-difluorophenyl)methoxy]-3-methoxyphenyl]quinazolin-4-amine
CID 67698787
N-(2-chlorophenyl)-8-fluoroquinazolin-4-amine
CID 110434661
6-chloro-N-[3-(methoxymethyl)phenyl]-4,5-dimethylpyridazin-3-amine
CID 55168145

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-[3-(methoxymethyl)phenyl]quinazolin-4-amine?
The IUPAC name of 8-fluoro-N-[3-(methoxymethyl)phenyl]quinazolin-4-amine (CID 119045645) is 8-fluoro-N-[3-(methoxymethyl)phenyl]quinazolin-4-amine.
What is the SMILES notation for 8-fluoro-N-[3-(methoxymethyl)phenyl]quinazolin-4-amine?
The canonical SMILES for 8-fluoro-N-[3-(methoxymethyl)phenyl]quinazolin-4-amine is COCc1cccc(Nc2ncnc3c(F)cccc23)c1.
What is the InChIKey of 8-fluoro-N-[3-(methoxymethyl)phenyl]quinazolin-4-amine?
The InChIKey is NRDIFWLZAYZBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-21-9-11-4-2-5-12(8-11)20-16-13-6-3-7-14(17)15(13)18-10-19-16/h2-8,10H,9H2,1H3,(H,18,19,20).
What are the key properties of 8-fluoro-N-[3-(methoxymethyl)phenyl]quinazolin-4-amine?
8-fluoro-N-[3-(methoxymethyl)phenyl]quinazolin-4-amine has a molecular weight of 283.31 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-[3-(methoxymethyl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 119045645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).