2-(2-fluorophenyl)-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine

C21H23FN4O — CID 661646

IUPAC2-(2-fluorophenyl)-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
SMILESFc1ccccc1-c1nc(NCCCN2CCOCC2)c2ccccc2n1
InChIInChI=1S/C21H23FN4O/c22-18-8-3-1-6-16(18)21-24-19-9-4-2-7-17(19)20(25-21)23-10-5-11-26-12-14-27-15-13-26/h1-4,6-9H,5,10-15H2,(H,23,24,25)
InChIKeyPIRZAMYJPZQUGW-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.57
Rot. Bonds6

About 2-(2-fluorophenyl)-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine

2-(2-fluorophenyl)-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine (PubChem CID 661646) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
PubChem CID661646
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name2-(2-fluorophenyl)-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
SMILESFc1ccccc1-c1nc(NCCCN2CCOCC2)c2ccccc2n1
InChIInChI=1S/C21H23FN4O/c22-18-8-3-1-6-16(18)21-24-19-9-4-2-7-17(19)20(25-21)23-10-5-11-26-12-14-27-15-13-26/h1-4,6-9H,5,10-15H2,(H,23,24,25)
InChIKeyPIRZAMYJPZQUGW-UHFFFAOYSA-N
XLogP3.57
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine?
The IUPAC name of 2-(2-fluorophenyl)-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine (CID 661646) is 2-(2-fluorophenyl)-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine.
What is the SMILES notation for 2-(2-fluorophenyl)-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine?
The canonical SMILES for 2-(2-fluorophenyl)-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine is Fc1ccccc1-c1nc(NCCCN2CCOCC2)c2ccccc2n1.
What is the InChIKey of 2-(2-fluorophenyl)-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine?
The InChIKey is PIRZAMYJPZQUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c22-18-8-3-1-6-16(18)21-24-19-9-4-2-7-17(19)20(25-21)23-10-5-11-26-12-14-27-15-13-26/h1-4,6-9H,5,10-15H2,(H,23,24,25).
What are the key properties of 2-(2-fluorophenyl)-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine?
2-(2-fluorophenyl)-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine has a molecular weight of 366.44 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine is sourced from PubChem (CID 661646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).