(1R)-1-(2-fluorophenyl)-2-(quinazolin-4-ylamino)ethanol

C16H14FN3O — CID 94817432

IUPAC(1R)-1-(2-fluorophenyl)-2-(quinazolin-4-ylamino)ethanol
SMILESO[C@@H](CNc1ncnc2ccccc12)c1ccccc1F
InChIInChI=1S/C16H14FN3O/c17-13-7-3-1-5-11(13)15(21)9-18-16-12-6-2-4-8-14(12)19-10-20-16/h1-8,10,15,21H,9H2,(H,18,19,20)/t15-/m0/s1
InChIKeyYJVNEMMIVBVNPL-HNNXBMFYSA-N
MW283.31 g/mol
LogP2.91
Rot. Bonds4

About (1R)-1-(2-fluorophenyl)-2-(quinazolin-4-ylamino)ethanol

(1R)-1-(2-fluorophenyl)-2-(quinazolin-4-ylamino)ethanol (PubChem CID 94817432) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is (1R)-1-(2-fluorophenyl)-2-(quinazolin-4-ylamino)ethanol.

Molecular Properties

Compound Name(1R)-1-(2-fluorophenyl)-2-(quinazolin-4-ylamino)ethanol
PubChem CID94817432
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name(1R)-1-(2-fluorophenyl)-2-(quinazolin-4-ylamino)ethanol
SMILESO[C@@H](CNc1ncnc2ccccc12)c1ccccc1F
InChIInChI=1S/C16H14FN3O/c17-13-7-3-1-5-11(13)15(21)9-18-16-12-6-2-4-8-14(12)19-10-20-16/h1-8,10,15,21H,9H2,(H,18,19,20)/t15-/m0/s1
InChIKeyYJVNEMMIVBVNPL-HNNXBMFYSA-N
XLogP2.91
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R)-1-(2-fluorophenyl)-2-(quinazolin-4-ylamino)ethanol 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

(1S)-1-phenyl-2-(quinazolin-4-ylamino)ethanol
CID 93317181
1-(4-aminophenyl)-2-(quinazolin-4-ylamino)ethanol
CID 60894016
3-methyl-1-(quinazolin-4-ylamino)butan-2-ol
CID 113240545
3-ethyl-1-N-quinazolin-4-ylpentane-1,2-diamine
CID 106286875
3-methyl-4-(quinazolin-4-ylamino)butan-1-ol
CID 66106208
2-(1,3-benzoxazol-2-ylamino)-1-(2-fluorophenyl)ethanol
CID 51086727
1-(2-fluorophenyl)-2-[[2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-5-methylpyrimidin-4-yl]amino]ethanol
CID 133349123
2-[(quinazolin-4-ylamino)methyl]butanoic acid
CID 65226835
N-ethylquinazolin-4-amine;fluorobenzene
CID 174725840
(2R)-2-[(4-fluorophenyl)methyl]-3-(quinazolin-4-ylamino)propanamide
CID 95321688
2-[(5-chloro-2-pyridinyl)amino]-1-(2-fluorophenyl)ethanol
CID 133351470
1-(2-fluorophenyl)-2-(3,4,5-trifluoroanilino)ethanol
CID 62810638

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-fluorophenyl)-2-(quinazolin-4-ylamino)ethanol?
The IUPAC name of (1R)-1-(2-fluorophenyl)-2-(quinazolin-4-ylamino)ethanol (CID 94817432) is (1R)-1-(2-fluorophenyl)-2-(quinazolin-4-ylamino)ethanol.
What is the SMILES notation for (1R)-1-(2-fluorophenyl)-2-(quinazolin-4-ylamino)ethanol?
The canonical SMILES for (1R)-1-(2-fluorophenyl)-2-(quinazolin-4-ylamino)ethanol is O[C@@H](CNc1ncnc2ccccc12)c1ccccc1F.
What is the InChIKey of (1R)-1-(2-fluorophenyl)-2-(quinazolin-4-ylamino)ethanol?
The InChIKey is YJVNEMMIVBVNPL-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H14FN3O/c17-13-7-3-1-5-11(13)15(21)9-18-16-12-6-2-4-8-14(12)19-10-20-16/h1-8,10,15,21H,9H2,(H,18,19,20)/t15-/m0/s1.
What are the key properties of (1R)-1-(2-fluorophenyl)-2-(quinazolin-4-ylamino)ethanol?
(1R)-1-(2-fluorophenyl)-2-(quinazolin-4-ylamino)ethanol has a molecular weight of 283.31 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-fluorophenyl)-2-(quinazolin-4-ylamino)ethanol is sourced from PubChem (CID 94817432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).