6-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methylquinazolin-4-amine

C17H15F2N3O — CID 78901493

IUPAC6-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methylquinazolin-4-amine
SMILESCN(CCOc1ccc(F)cc1)c1ncnc2ccc(F)cc12
InChIInChI=1S/C17H15F2N3O/c1-22(8-9-23-14-5-2-12(18)3-6-14)17-15-10-13(19)4-7-16(15)20-11-21-17/h2-7,10-11H,8-9H2,1H3
InChIKeyFLDXJZOGMBCNMM-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.42
Rot. Bonds5

About 6-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methylquinazolin-4-amine

6-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methylquinazolin-4-amine (PubChem CID 78901493) has the molecular formula C17H15F2N3O and a molecular weight of 315.32 g/mol. Its IUPAC name is 6-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methylquinazolin-4-amine
PubChem CID78901493
Molecular FormulaC17H15F2N3O
Molecular Weight315.32 g/mol
Exact Mass315.12
IUPAC Name6-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methylquinazolin-4-amine
SMILESCN(CCOc1ccc(F)cc1)c1ncnc2ccc(F)cc12
InChIInChI=1S/C17H15F2N3O/c1-22(8-9-23-14-5-2-12(18)3-6-14)17-15-10-13(19)4-7-16(15)20-11-21-17/h2-7,10-11H,8-9H2,1H3
InChIKeyFLDXJZOGMBCNMM-UHFFFAOYSA-N
XLogP3.42
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclopropylethyl)-6-fluoro-N-methylquinazolin-4-amine
CID 133398560
6-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)quinazolin-4-amine
CID 112507739
6-fluoro-N-[2-(2-methoxyphenyl)ethyl]-N-methylquinazolin-4-amine
CID 133300967
7-fluoro-6-methoxy-N-methyl-N-(2-phenoxyethyl)quinazolin-4-amine
CID 133475517
6-fluoro-N-methyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine
CID 171691676
N,6-dimethyl-N-(3-phenoxypropyl)quinazolin-4-amine
CID 112843843
N-[(5-bromothiophen-2-yl)methyl]-6-fluoro-N-methylquinazolin-4-amine
CID 78901234
N-methyl-N-[2-(2-methylphenoxy)ethyl]quinazolin-4-amine
CID 12797563
6-fluoro-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine
CID 133271712
N-methyl-N-(2-phenoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 50950589
6-fluoro-N-(3-iodophenyl)-N-methylquinazolin-4-amine
CID 175809045
2-(6-fluoroquinazolin-4-yl)sulfanyl-N,N-dimethylethanamine
CID 133429829

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methylquinazolin-4-amine?
The IUPAC name of 6-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methylquinazolin-4-amine (CID 78901493) is 6-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methylquinazolin-4-amine.
What is the SMILES notation for 6-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methylquinazolin-4-amine?
The canonical SMILES for 6-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methylquinazolin-4-amine is CN(CCOc1ccc(F)cc1)c1ncnc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methylquinazolin-4-amine?
The InChIKey is FLDXJZOGMBCNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O/c1-22(8-9-23-14-5-2-12(18)3-6-14)17-15-10-13(19)4-7-16(15)20-11-21-17/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 6-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methylquinazolin-4-amine?
6-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methylquinazolin-4-amine has a molecular weight of 315.32 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methylquinazolin-4-amine is sourced from PubChem (CID 78901493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).