N-[1-(2-chlorophenyl)ethyl]-5-fluoroquinazolin-4-amine

C16H13ClFN3 — CID 55855620

IUPACN-[1-(2-chlorophenyl)ethyl]-5-fluoroquinazolin-4-amine
SMILESCC(Nc1ncnc2cccc(F)c12)c1ccccc1Cl
InChIInChI=1S/C16H13ClFN3/c1-10(11-5-2-3-6-12(11)17)21-16-15-13(18)7-4-8-14(15)19-9-20-16/h2-10H,1H3,(H,19,20,21)
InChIKeyCGRZRLKCVJSHNT-UHFFFAOYSA-N
MW301.75 g/mol
LogP4.60
Rot. Bonds3

About N-[1-(2-chlorophenyl)ethyl]-5-fluoroquinazolin-4-amine

N-[1-(2-chlorophenyl)ethyl]-5-fluoroquinazolin-4-amine (PubChem CID 55855620) has the molecular formula C16H13ClFN3 and a molecular weight of 301.75 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-5-fluoroquinazolin-4-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-5-fluoroquinazolin-4-amine
PubChem CID55855620
Molecular FormulaC16H13ClFN3
Molecular Weight301.75 g/mol
Exact Mass301.08
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-5-fluoroquinazolin-4-amine
SMILESCC(Nc1ncnc2cccc(F)c12)c1ccccc1Cl
InChIInChI=1S/C16H13ClFN3/c1-10(11-5-2-3-6-12(11)17)21-16-15-13(18)7-4-8-14(15)19-9-20-16/h2-10H,1H3,(H,19,20,21)
InChIKeyCGRZRLKCVJSHNT-UHFFFAOYSA-N
XLogP4.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-5-fluoroquinazolin-4-amine?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-5-fluoroquinazolin-4-amine (CID 55855620) is N-[1-(2-chlorophenyl)ethyl]-5-fluoroquinazolin-4-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-5-fluoroquinazolin-4-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-5-fluoroquinazolin-4-amine is CC(Nc1ncnc2cccc(F)c12)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-5-fluoroquinazolin-4-amine?
The InChIKey is CGRZRLKCVJSHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3/c1-10(11-5-2-3-6-12(11)17)21-16-15-13(18)7-4-8-14(15)19-9-20-16/h2-10H,1H3,(H,19,20,21).
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-5-fluoroquinazolin-4-amine?
N-[1-(2-chlorophenyl)ethyl]-5-fluoroquinazolin-4-amine has a molecular weight of 301.75 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-5-fluoroquinazolin-4-amine is sourced from PubChem (CID 55855620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).