[2-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]phenyl]-morpholin-4-ylmethanone

C24H26FN5O3 — CID 67101929

IUPAC[2-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(Nc2ncc3cccc(OC4CCNCC4)c3n2)ccc1F)N1CCOCC1
InChIInChI=1S/C24H26FN5O3/c25-20-5-4-17(14-19(20)23(31)30-10-12-32-13-11-30)28-24-27-15-16-2-1-3-21(22(16)29-24)33-18-6-8-26-9-7-18/h1-5,14-15,18,26H,6-13H2,(H,27,28,29)
InChIKeySKYPZRLAILLFFA-UHFFFAOYSA-N
MW451.50 g/mol
LogP3.12
Rot. Bonds5

About [2-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]phenyl]-morpholin-4-ylmethanone

[2-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]phenyl]-morpholin-4-ylmethanone (PubChem CID 67101929) has the molecular formula C24H26FN5O3 and a molecular weight of 451.50 g/mol. Its IUPAC name is [2-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]phenyl]-morpholin-4-ylmethanone
PubChem CID67101929
Molecular FormulaC24H26FN5O3
Molecular Weight451.50 g/mol
Exact Mass451.20
IUPAC Name[2-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(Nc2ncc3cccc(OC4CCNCC4)c3n2)ccc1F)N1CCOCC1
InChIInChI=1S/C24H26FN5O3/c25-20-5-4-17(14-19(20)23(31)30-10-12-32-13-11-30)28-24-27-15-16-2-1-3-21(22(16)29-24)33-18-6-8-26-9-7-18/h1-5,14-15,18,26H,6-13H2,(H,27,28,29)
InChIKeySKYPZRLAILLFFA-UHFFFAOYSA-N
XLogP3.12
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]phenyl]-morpholin-4-ylmethanone 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 [2-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [2-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]phenyl]-morpholin-4-ylmethanone (CID 67101929) is [2-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]phenyl]-morpholin-4-ylmethanone is O=C(c1cc(Nc2ncc3cccc(OC4CCNCC4)c3n2)ccc1F)N1CCOCC1.
What is the InChIKey of [2-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]phenyl]-morpholin-4-ylmethanone?
The InChIKey is SKYPZRLAILLFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O3/c25-20-5-4-17(14-19(20)23(31)30-10-12-32-13-11-30)28-24-27-15-16-2-1-3-21(22(16)29-24)33-18-6-8-26-9-7-18/h1-5,14-15,18,26H,6-13H2,(H,27,28,29).
What are the key properties of [2-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]phenyl]-morpholin-4-ylmethanone?
[2-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]phenyl]-morpholin-4-ylmethanone has a molecular weight of 451.50 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 67101929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).