5-fluoro-N-methyl-N-(1-pyridin-2-ylethyl)quinazolin-4-amine

C16H15FN4 — CID 56789609

IUPAC5-fluoro-N-methyl-N-(1-pyridin-2-ylethyl)quinazolin-4-amine
SMILESCC(c1ccccn1)N(C)c1ncnc2cccc(F)c12
InChIInChI=1S/C16H15FN4/c1-11(13-7-3-4-9-18-13)21(2)16-15-12(17)6-5-8-14(15)19-10-20-16/h3-11H,1-2H3
InChIKeyNJFQKZSQEFUPIJ-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.36
Rot. Bonds3

About 5-fluoro-N-methyl-N-(1-pyridin-2-ylethyl)quinazolin-4-amine

5-fluoro-N-methyl-N-(1-pyridin-2-ylethyl)quinazolin-4-amine (PubChem CID 56789609) has the molecular formula C16H15FN4 and a molecular weight of 282.32 g/mol. Its IUPAC name is 5-fluoro-N-methyl-N-(1-pyridin-2-ylethyl)quinazolin-4-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-N-(1-pyridin-2-ylethyl)quinazolin-4-amine
PubChem CID56789609
Molecular FormulaC16H15FN4
Molecular Weight282.32 g/mol
Exact Mass282.13
IUPAC Name5-fluoro-N-methyl-N-(1-pyridin-2-ylethyl)quinazolin-4-amine
SMILESCC(c1ccccn1)N(C)c1ncnc2cccc(F)c12
InChIInChI=1S/C16H15FN4/c1-11(13-7-3-4-9-18-13)21(2)16-15-12(17)6-5-8-14(15)19-10-20-16/h3-11H,1-2H3
InChIKeyNJFQKZSQEFUPIJ-UHFFFAOYSA-N
XLogP3.36
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-N-(1-pyridin-2-ylethyl)quinazolin-4-amine?
The IUPAC name of 5-fluoro-N-methyl-N-(1-pyridin-2-ylethyl)quinazolin-4-amine (CID 56789609) is 5-fluoro-N-methyl-N-(1-pyridin-2-ylethyl)quinazolin-4-amine.
What is the SMILES notation for 5-fluoro-N-methyl-N-(1-pyridin-2-ylethyl)quinazolin-4-amine?
The canonical SMILES for 5-fluoro-N-methyl-N-(1-pyridin-2-ylethyl)quinazolin-4-amine is CC(c1ccccn1)N(C)c1ncnc2cccc(F)c12.
What is the InChIKey of 5-fluoro-N-methyl-N-(1-pyridin-2-ylethyl)quinazolin-4-amine?
The InChIKey is NJFQKZSQEFUPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4/c1-11(13-7-3-4-9-18-13)21(2)16-15-12(17)6-5-8-14(15)19-10-20-16/h3-11H,1-2H3.
What are the key properties of 5-fluoro-N-methyl-N-(1-pyridin-2-ylethyl)quinazolin-4-amine?
5-fluoro-N-methyl-N-(1-pyridin-2-ylethyl)quinazolin-4-amine has a molecular weight of 282.32 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-N-(1-pyridin-2-ylethyl)quinazolin-4-amine is sourced from PubChem (CID 56789609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).