5-fluoro-N-methyl-N-[(4-methylphenyl)methyl]quinazolin-4-amine

C17H16FN3 — CID 78901479

IUPAC5-fluoro-N-methyl-N-[(4-methylphenyl)methyl]quinazolin-4-amine
SMILESCc1ccc(CN(C)c2ncnc3cccc(F)c23)cc1
InChIInChI=1S/C17H16FN3/c1-12-6-8-13(9-7-12)10-21(2)17-16-14(18)4-3-5-15(16)19-11-20-17/h3-9,11H,10H2,1-2H3
InChIKeyMHRLRZPAJPITBD-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.71
Rot. Bonds3

About 5-fluoro-N-methyl-N-[(4-methylphenyl)methyl]quinazolin-4-amine

5-fluoro-N-methyl-N-[(4-methylphenyl)methyl]quinazolin-4-amine (PubChem CID 78901479) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 5-fluoro-N-methyl-N-[(4-methylphenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-N-[(4-methylphenyl)methyl]quinazolin-4-amine
PubChem CID78901479
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name5-fluoro-N-methyl-N-[(4-methylphenyl)methyl]quinazolin-4-amine
SMILESCc1ccc(CN(C)c2ncnc3cccc(F)c23)cc1
InChIInChI=1S/C17H16FN3/c1-12-6-8-13(9-7-12)10-21(2)17-16-14(18)4-3-5-15(16)19-11-20-17/h3-9,11H,10H2,1-2H3
InChIKeyMHRLRZPAJPITBD-UHFFFAOYSA-N
XLogP3.71
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-N-[(4-methylphenyl)methyl]quinazolin-4-amine?
The IUPAC name of 5-fluoro-N-methyl-N-[(4-methylphenyl)methyl]quinazolin-4-amine (CID 78901479) is 5-fluoro-N-methyl-N-[(4-methylphenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 5-fluoro-N-methyl-N-[(4-methylphenyl)methyl]quinazolin-4-amine?
The canonical SMILES for 5-fluoro-N-methyl-N-[(4-methylphenyl)methyl]quinazolin-4-amine is Cc1ccc(CN(C)c2ncnc3cccc(F)c23)cc1.
What is the InChIKey of 5-fluoro-N-methyl-N-[(4-methylphenyl)methyl]quinazolin-4-amine?
The InChIKey is MHRLRZPAJPITBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-12-6-8-13(9-7-12)10-21(2)17-16-14(18)4-3-5-15(16)19-11-20-17/h3-9,11H,10H2,1-2H3.
What are the key properties of 5-fluoro-N-methyl-N-[(4-methylphenyl)methyl]quinazolin-4-amine?
5-fluoro-N-methyl-N-[(4-methylphenyl)methyl]quinazolin-4-amine has a molecular weight of 281.33 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-N-[(4-methylphenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 78901479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).