N-(3-fluoro-4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine

C17H16FN3O — CID 11460696

IUPACN-(3-fluoro-4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine
SMILESCOc1ccc(N(C)c2nc(C)nc3ccccc23)cc1F
InChIInChI=1S/C17H16FN3O/c1-11-19-15-7-5-4-6-13(15)17(20-11)21(2)12-8-9-16(22-3)14(18)10-12/h4-10H,1-3H3
InChIKeyNXOZBYBATCYWGY-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.85
Rot. Bonds3

About N-(3-fluoro-4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine

N-(3-fluoro-4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine (PubChem CID 11460696) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine
PubChem CID11460696
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine
SMILESCOc1ccc(N(C)c2nc(C)nc3ccccc23)cc1F
InChIInChI=1S/C17H16FN3O/c1-11-19-15-7-5-4-6-13(15)17(20-11)21(2)12-8-9-16(22-3)14(18)10-12/h4-10H,1-3H3
InChIKeyNXOZBYBATCYWGY-UHFFFAOYSA-N
XLogP3.85
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine (CID 11460696) is N-(3-fluoro-4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine is COc1ccc(N(C)c2nc(C)nc3ccccc23)cc1F.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine?
The InChIKey is NXOZBYBATCYWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c1-11-19-15-7-5-4-6-13(15)17(20-11)21(2)12-8-9-16(22-3)14(18)10-12/h4-10H,1-3H3.
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine?
N-(3-fluoro-4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine has a molecular weight of 297.33 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine is sourced from PubChem (CID 11460696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).