3-[[2-(4-fluorophenyl)quinazolin-4-yl]-(3-morpholin-4-ylpropyl)amino]-N-phenylpropanamide

C30H32FN5O2 — CID 24718255

IUPAC3-[[2-(4-fluorophenyl)quinazolin-4-yl]-(3-morpholin-4-ylpropyl)amino]-N-phenylpropanamide
SMILESO=C(CCN(CCCN1CCOCC1)c1nc(-c2ccc(F)cc2)nc2ccccc12)Nc1ccccc1
InChIInChI=1S/C30H32FN5O2/c31-24-13-11-23(12-14-24)29-33-27-10-5-4-9-26(27)30(34-29)36(17-6-16-35-19-21-38-22-20-35)18-15-28(37)32-25-7-2-1-3-8-25/h1-5,7-14H,6,15-22H2,(H,32,37)
InChIKeyLJSFUQHBGQNFDJ-UHFFFAOYSA-N
MW513.62 g/mol
LogP4.99
Rot. Bonds10

About 3-[[2-(4-fluorophenyl)quinazolin-4-yl]-(3-morpholin-4-ylpropyl)amino]-N-phenylpropanamide

3-[[2-(4-fluorophenyl)quinazolin-4-yl]-(3-morpholin-4-ylpropyl)amino]-N-phenylpropanamide (PubChem CID 24718255) has the molecular formula C30H32FN5O2 and a molecular weight of 513.62 g/mol. Its IUPAC name is 3-[[2-(4-fluorophenyl)quinazolin-4-yl]-(3-morpholin-4-ylpropyl)amino]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[[2-(4-fluorophenyl)quinazolin-4-yl]-(3-morpholin-4-ylpropyl)amino]-N-phenylpropanamide
PubChem CID24718255
Molecular FormulaC30H32FN5O2
Molecular Weight513.62 g/mol
Exact Mass513.25
IUPAC Name3-[[2-(4-fluorophenyl)quinazolin-4-yl]-(3-morpholin-4-ylpropyl)amino]-N-phenylpropanamide
SMILESO=C(CCN(CCCN1CCOCC1)c1nc(-c2ccc(F)cc2)nc2ccccc12)Nc1ccccc1
InChIInChI=1S/C30H32FN5O2/c31-24-13-11-23(12-14-24)29-33-27-10-5-4-9-26(27)30(34-29)36(17-6-16-35-19-21-38-22-20-35)18-15-28(37)32-25-7-2-1-3-8-25/h1-5,7-14H,6,15-22H2,(H,32,37)
InChIKeyLJSFUQHBGQNFDJ-UHFFFAOYSA-N
XLogP4.99
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.62
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[2-(4-fluorophenyl)quinazolin-4-yl]-(3-morpholin-4-ylpropyl)amino]-N-phenylpropanamide 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 3-[[2-(4-fluorophenyl)quinazolin-4-yl]-(3-morpholin-4-ylpropyl)amino]-N-phenylpropanamide?
The IUPAC name of 3-[[2-(4-fluorophenyl)quinazolin-4-yl]-(3-morpholin-4-ylpropyl)amino]-N-phenylpropanamide (CID 24718255) is 3-[[2-(4-fluorophenyl)quinazolin-4-yl]-(3-morpholin-4-ylpropyl)amino]-N-phenylpropanamide.
What is the SMILES notation for 3-[[2-(4-fluorophenyl)quinazolin-4-yl]-(3-morpholin-4-ylpropyl)amino]-N-phenylpropanamide?
The canonical SMILES for 3-[[2-(4-fluorophenyl)quinazolin-4-yl]-(3-morpholin-4-ylpropyl)amino]-N-phenylpropanamide is O=C(CCN(CCCN1CCOCC1)c1nc(-c2ccc(F)cc2)nc2ccccc12)Nc1ccccc1.
What is the InChIKey of 3-[[2-(4-fluorophenyl)quinazolin-4-yl]-(3-morpholin-4-ylpropyl)amino]-N-phenylpropanamide?
The InChIKey is LJSFUQHBGQNFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN5O2/c31-24-13-11-23(12-14-24)29-33-27-10-5-4-9-26(27)30(34-29)36(17-6-16-35-19-21-38-22-20-35)18-15-28(37)32-25-7-2-1-3-8-25/h1-5,7-14H,6,15-22H2,(H,32,37).
What are the key properties of 3-[[2-(4-fluorophenyl)quinazolin-4-yl]-(3-morpholin-4-ylpropyl)amino]-N-phenylpropanamide?
3-[[2-(4-fluorophenyl)quinazolin-4-yl]-(3-morpholin-4-ylpropyl)amino]-N-phenylpropanamide has a molecular weight of 513.62 g/mol, XLogP of 4.99, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-fluorophenyl)quinazolin-4-yl]-(3-morpholin-4-ylpropyl)amino]-N-phenylpropanamide is sourced from PubChem (CID 24718255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).