8-(3-fluorophenyl)-N-(4-morpholin-2-ylphenyl)quinazolin-2-amine

C24H21FN4O — CID 175013541

IUPAC8-(3-fluorophenyl)-N-(4-morpholin-2-ylphenyl)quinazolin-2-amine
SMILESFc1cccc(-c2cccc3cnc(Nc4ccc(C5CNCCO5)cc4)nc23)c1
InChIInChI=1S/C24H21FN4O/c25-19-5-1-3-17(13-19)21-6-2-4-18-14-27-24(29-23(18)21)28-20-9-7-16(8-10-20)22-15-26-11-12-30-22/h1-10,13-14,22,26H,11-12,15H2,(H,27,28,29)
InChIKeyYOAQIISOKMHLJI-UHFFFAOYSA-N
MW400.46 g/mol
LogP4.84
Rot. Bonds4

About 8-(3-fluorophenyl)-N-(4-morpholin-2-ylphenyl)quinazolin-2-amine

8-(3-fluorophenyl)-N-(4-morpholin-2-ylphenyl)quinazolin-2-amine (PubChem CID 175013541) has the molecular formula C24H21FN4O and a molecular weight of 400.46 g/mol. Its IUPAC name is 8-(3-fluorophenyl)-N-(4-morpholin-2-ylphenyl)quinazolin-2-amine.

Molecular Properties

Compound Name8-(3-fluorophenyl)-N-(4-morpholin-2-ylphenyl)quinazolin-2-amine
PubChem CID175013541
Molecular FormulaC24H21FN4O
Molecular Weight400.46 g/mol
Exact Mass400.17
IUPAC Name8-(3-fluorophenyl)-N-(4-morpholin-2-ylphenyl)quinazolin-2-amine
SMILESFc1cccc(-c2cccc3cnc(Nc4ccc(C5CNCCO5)cc4)nc23)c1
InChIInChI=1S/C24H21FN4O/c25-19-5-1-3-17(13-19)21-6-2-4-18-14-27-24(29-23(18)21)28-20-9-7-16(8-10-20)22-15-26-11-12-30-22/h1-10,13-14,22,26H,11-12,15H2,(H,27,28,29)
InChIKeyYOAQIISOKMHLJI-UHFFFAOYSA-N
XLogP4.84
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-(3-fluorophenyl)-N-(4-morpholin-2-ylphenyl)quinazolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(3-fluorophenyl)-N-(4-morpholin-2-ylphenyl)quinazolin-2-amine?
The IUPAC name of 8-(3-fluorophenyl)-N-(4-morpholin-2-ylphenyl)quinazolin-2-amine (CID 175013541) is 8-(3-fluorophenyl)-N-(4-morpholin-2-ylphenyl)quinazolin-2-amine.
What is the SMILES notation for 8-(3-fluorophenyl)-N-(4-morpholin-2-ylphenyl)quinazolin-2-amine?
The canonical SMILES for 8-(3-fluorophenyl)-N-(4-morpholin-2-ylphenyl)quinazolin-2-amine is Fc1cccc(-c2cccc3cnc(Nc4ccc(C5CNCCO5)cc4)nc23)c1.
What is the InChIKey of 8-(3-fluorophenyl)-N-(4-morpholin-2-ylphenyl)quinazolin-2-amine?
The InChIKey is YOAQIISOKMHLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O/c25-19-5-1-3-17(13-19)21-6-2-4-18-14-27-24(29-23(18)21)28-20-9-7-16(8-10-20)22-15-26-11-12-30-22/h1-10,13-14,22,26H,11-12,15H2,(H,27,28,29).
What are the key properties of 8-(3-fluorophenyl)-N-(4-morpholin-2-ylphenyl)quinazolin-2-amine?
8-(3-fluorophenyl)-N-(4-morpholin-2-ylphenyl)quinazolin-2-amine has a molecular weight of 400.46 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluorophenyl)-N-(4-morpholin-2-ylphenyl)quinazolin-2-amine is sourced from PubChem (CID 175013541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).