N-cyclopentyl-2-(2-fluorophenyl)quinazolin-4-amine

C19H18FN3 — CID 929654

IUPACN-cyclopentyl-2-(2-fluorophenyl)quinazolin-4-amine
SMILESFc1ccccc1-c1nc(NC2CCCC2)c2ccccc2n1
InChIInChI=1S/C19H18FN3/c20-16-11-5-3-9-14(16)18-22-17-12-6-4-10-15(17)19(23-18)21-13-7-1-2-8-13/h3-6,9-13H,1-2,7-8H2,(H,21,22,23)
InChIKeyAFMHHHMLWNYSDD-UHFFFAOYSA-N
MW307.37 g/mol
LogP4.79
Rot. Bonds3

About N-cyclopentyl-2-(2-fluorophenyl)quinazolin-4-amine

N-cyclopentyl-2-(2-fluorophenyl)quinazolin-4-amine (PubChem CID 929654) has the molecular formula C19H18FN3 and a molecular weight of 307.37 g/mol. Its IUPAC name is N-cyclopentyl-2-(2-fluorophenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-cyclopentyl-2-(2-fluorophenyl)quinazolin-4-amine
PubChem CID929654
Molecular FormulaC19H18FN3
Molecular Weight307.37 g/mol
Exact Mass307.15
IUPAC NameN-cyclopentyl-2-(2-fluorophenyl)quinazolin-4-amine
SMILESFc1ccccc1-c1nc(NC2CCCC2)c2ccccc2n1
InChIInChI=1S/C19H18FN3/c20-16-11-5-3-9-14(16)18-22-17-12-6-4-10-15(17)19(23-18)21-13-7-1-2-8-13/h3-6,9-13H,1-2,7-8H2,(H,21,22,23)
InChIKeyAFMHHHMLWNYSDD-UHFFFAOYSA-N
XLogP4.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2-fluorophenyl)quinazolin-4-amine?
The IUPAC name of N-cyclopentyl-2-(2-fluorophenyl)quinazolin-4-amine (CID 929654) is N-cyclopentyl-2-(2-fluorophenyl)quinazolin-4-amine.
What is the SMILES notation for N-cyclopentyl-2-(2-fluorophenyl)quinazolin-4-amine?
The canonical SMILES for N-cyclopentyl-2-(2-fluorophenyl)quinazolin-4-amine is Fc1ccccc1-c1nc(NC2CCCC2)c2ccccc2n1.
What is the InChIKey of N-cyclopentyl-2-(2-fluorophenyl)quinazolin-4-amine?
The InChIKey is AFMHHHMLWNYSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3/c20-16-11-5-3-9-14(16)18-22-17-12-6-4-10-15(17)19(23-18)21-13-7-1-2-8-13/h3-6,9-13H,1-2,7-8H2,(H,21,22,23).
What are the key properties of N-cyclopentyl-2-(2-fluorophenyl)quinazolin-4-amine?
N-cyclopentyl-2-(2-fluorophenyl)quinazolin-4-amine has a molecular weight of 307.37 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2-fluorophenyl)quinazolin-4-amine is sourced from PubChem (CID 929654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).