N-[(3-fluorophenyl)methyl]-N-methylquinazolin-4-amine

C16H14FN3 — CID 17455534

IUPACN-[(3-fluorophenyl)methyl]-N-methylquinazolin-4-amine
SMILESCN(Cc1cccc(F)c1)c1ncnc2ccccc12
InChIInChI=1S/C16H14FN3/c1-20(10-12-5-4-6-13(17)9-12)16-14-7-2-3-8-15(14)18-11-19-16/h2-9,11H,10H2,1H3
InChIKeyLESPPZRNDHZBPL-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.41
Rot. Bonds3

About N-[(3-fluorophenyl)methyl]-N-methylquinazolin-4-amine

N-[(3-fluorophenyl)methyl]-N-methylquinazolin-4-amine (PubChem CID 17455534) has the molecular formula C16H14FN3 and a molecular weight of 267.31 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-methylquinazolin-4-amine
PubChem CID17455534
Molecular FormulaC16H14FN3
Molecular Weight267.31 g/mol
Exact Mass267.12
IUPAC NameN-[(3-fluorophenyl)methyl]-N-methylquinazolin-4-amine
SMILESCN(Cc1cccc(F)c1)c1ncnc2ccccc12
InChIInChI=1S/C16H14FN3/c1-20(10-12-5-4-6-13(17)9-12)16-14-7-2-3-8-15(14)18-11-19-16/h2-9,11H,10H2,1H3
InChIKeyLESPPZRNDHZBPL-UHFFFAOYSA-N
XLogP3.41
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-methylquinazolin-4-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-methylquinazolin-4-amine (CID 17455534) is N-[(3-fluorophenyl)methyl]-N-methylquinazolin-4-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-methylquinazolin-4-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-methylquinazolin-4-amine is CN(Cc1cccc(F)c1)c1ncnc2ccccc12.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-methylquinazolin-4-amine?
The InChIKey is LESPPZRNDHZBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3/c1-20(10-12-5-4-6-13(17)9-12)16-14-7-2-3-8-15(14)18-11-19-16/h2-9,11H,10H2,1H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-methylquinazolin-4-amine?
N-[(3-fluorophenyl)methyl]-N-methylquinazolin-4-amine has a molecular weight of 267.31 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-methylquinazolin-4-amine is sourced from PubChem (CID 17455534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).