(5R)-2-(6-fluoroquinazolin-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-ol

C18H16FN3O — CID 97342141

IUPAC(5R)-2-(6-fluoroquinazolin-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-ol
SMILESO[C@@H]1CCN(c2ncnc3ccc(F)cc23)Cc2ccccc21
InChIInChI=1S/C18H16FN3O/c19-13-5-6-16-15(9-13)18(21-11-20-16)22-8-7-17(23)14-4-2-1-3-12(14)10-22/h1-6,9,11,17,23H,7-8,10H2/t17-/m1/s1
InChIKeyHOEULTIMEZEWIR-QGZVFWFLSA-N
MW309.34 g/mol
LogP3.21
Rot. Bonds1

About (5R)-2-(6-fluoroquinazolin-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-ol

(5R)-2-(6-fluoroquinazolin-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-ol (PubChem CID 97342141) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is (5R)-2-(6-fluoroquinazolin-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-ol.

Molecular Properties

Compound Name(5R)-2-(6-fluoroquinazolin-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-ol
PubChem CID97342141
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name(5R)-2-(6-fluoroquinazolin-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-ol
SMILESO[C@@H]1CCN(c2ncnc3ccc(F)cc23)Cc2ccccc21
InChIInChI=1S/C18H16FN3O/c19-13-5-6-16-15(9-13)18(21-11-20-16)22-8-7-17(23)14-4-2-1-3-12(14)10-22/h1-6,9,11,17,23H,7-8,10H2/t17-/m1/s1
InChIKeyHOEULTIMEZEWIR-QGZVFWFLSA-N
XLogP3.21
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5R)-2-(6-fluoroquinazolin-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-ol 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

6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline
CID 172882648
1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxylic acid
CID 71563722
6-fluoro-4-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)quinazoline
CID 133428827
4-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-6-fluoroquinazoline
CID 133309107
N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-N-methylpyridin-2-amine
CID 155976434
6-fluoro-4-(4-pyridin-4-ylpiperidin-1-yl)quinazoline
CID 126810422
6-fluoro-4-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]quinazoline
CID 126891860
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-fluoroquinazoline
CID 133425208
6-fluoro-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline
CID 133300706
1-(6-fluoroquinazolin-4-yl)-4-phenylpiperidine-4-carbonitrile
CID 155980890
1-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 133422015
N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887875

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(6-fluoroquinazolin-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-ol?
The IUPAC name of (5R)-2-(6-fluoroquinazolin-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-ol (CID 97342141) is (5R)-2-(6-fluoroquinazolin-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-ol.
What is the SMILES notation for (5R)-2-(6-fluoroquinazolin-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-ol?
The canonical SMILES for (5R)-2-(6-fluoroquinazolin-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-ol is O[C@@H]1CCN(c2ncnc3ccc(F)cc23)Cc2ccccc21.
What is the InChIKey of (5R)-2-(6-fluoroquinazolin-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-ol?
The InChIKey is HOEULTIMEZEWIR-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H16FN3O/c19-13-5-6-16-15(9-13)18(21-11-20-16)22-8-7-17(23)14-4-2-1-3-12(14)10-22/h1-6,9,11,17,23H,7-8,10H2/t17-/m1/s1.
What are the key properties of (5R)-2-(6-fluoroquinazolin-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-ol?
(5R)-2-(6-fluoroquinazolin-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-ol has a molecular weight of 309.34 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(6-fluoroquinazolin-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-ol is sourced from PubChem (CID 97342141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).