3-[[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]amino]propane-1,2-diol

C23H20FN3O3 — CID 66980131

IUPAC3-[[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]amino]propane-1,2-diol
SMILESOCC(O)CNc1nc(-c2ccc(Oc3ccc(F)cc3)cc2)c2ccccc2n1
InChIInChI=1S/C23H20FN3O3/c24-16-7-11-19(12-8-16)30-18-9-5-15(6-10-18)22-20-3-1-2-4-21(20)26-23(27-22)25-13-17(29)14-28/h1-12,17,28-29H,13-14H2,(H,25,26,27)
InChIKeyGCJCWBZVMNLADH-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.99
Rot. Bonds7

About 3-[[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]amino]propane-1,2-diol

3-[[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]amino]propane-1,2-diol (PubChem CID 66980131) has the molecular formula C23H20FN3O3 and a molecular weight of 405.43 g/mol. Its IUPAC name is 3-[[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]amino]propane-1,2-diol
PubChem CID66980131
Molecular FormulaC23H20FN3O3
Molecular Weight405.43 g/mol
Exact Mass405.15
IUPAC Name3-[[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]amino]propane-1,2-diol
SMILESOCC(O)CNc1nc(-c2ccc(Oc3ccc(F)cc3)cc2)c2ccccc2n1
InChIInChI=1S/C23H20FN3O3/c24-16-7-11-19(12-8-16)30-18-9-5-15(6-10-18)22-20-3-1-2-4-21(20)26-23(27-22)25-13-17(29)14-28/h1-12,17,28-29H,13-14H2,(H,25,26,27)
InChIKeyGCJCWBZVMNLADH-UHFFFAOYSA-N
XLogP3.99
TPSA87.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]amino]propane-1,2-diol with MolForge

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

Launch Full Analysis

Related Compounds

2-[[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]amino]butanediamide
CID 66980134
4-[amino-[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]amino]-2-[[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]amino]-3-hydroxybutanamide
CID 123226609
4-(4-fluorophenyl)-N-methylquinazolin-2-amine
CID 156576968
2-(4-fluorophenyl)-2-[(4-phenylquinazolin-2-yl)amino]acetamide
CID 133476242
3-(quinazolin-2-ylamino)propane-1,2-diol
CID 114789175
2-(4-chlorophenyl)-3-(4-fluorophenoxy)quinoline-4-carboxylate
CID 7097759
(2S)-3-[(2-pyridin-4-ylquinazolin-4-yl)amino]propane-1,2-diol
CID 11150616
3-(4-naphthalen-2-yloxyanilino)propane-1,2-diol
CID 168595473
3-[[2-(4-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol
CID 18433090
1-fluoro-4-(4-phenoxyphenyl)benzene
CID 163618291
methyl 2-hydroxy-2-methyl-3-[(4-phenylquinazolin-2-yl)amino]propanoate
CID 75508856
(1R)-1-[2-(1,2-dihydroxyethyl)-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]ethane-1,2-diol
CID 66801770

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]amino]propane-1,2-diol?
The IUPAC name of 3-[[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]amino]propane-1,2-diol (CID 66980131) is 3-[[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]amino]propane-1,2-diol.
What is the SMILES notation for 3-[[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]amino]propane-1,2-diol?
The canonical SMILES for 3-[[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]amino]propane-1,2-diol is OCC(O)CNc1nc(-c2ccc(Oc3ccc(F)cc3)cc2)c2ccccc2n1.
What is the InChIKey of 3-[[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]amino]propane-1,2-diol?
The InChIKey is GCJCWBZVMNLADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3/c24-16-7-11-19(12-8-16)30-18-9-5-15(6-10-18)22-20-3-1-2-4-21(20)26-23(27-22)25-13-17(29)14-28/h1-12,17,28-29H,13-14H2,(H,25,26,27).
What are the key properties of 3-[[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]amino]propane-1,2-diol?
3-[[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]amino]propane-1,2-diol has a molecular weight of 405.43 g/mol, XLogP of 3.99, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]amino]propane-1,2-diol is sourced from PubChem (CID 66980131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).