4-(1,4-oxazepan-5-yl)quinolin-6-ol

C14H16N2O2 — CID 82664629

IUPAC4-(1,4-oxazepan-5-yl)quinolin-6-ol
SMILESOc1ccc2nccc(C3CCOCCN3)c2c1
InChIInChI=1S/C14H16N2O2/c17-10-1-2-13-12(9-10)11(3-5-15-13)14-4-7-18-8-6-16-14/h1-3,5,9,14,16-17H,4,6-8H2
InChIKeyDTMVISAUAICQHG-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.99
Rot. Bonds1

About 4-(1,4-oxazepan-5-yl)quinolin-6-ol

4-(1,4-oxazepan-5-yl)quinolin-6-ol (PubChem CID 82664629) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-(1,4-oxazepan-5-yl)quinolin-6-ol.

Molecular Properties

Compound Name4-(1,4-oxazepan-5-yl)quinolin-6-ol
PubChem CID82664629
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-(1,4-oxazepan-5-yl)quinolin-6-ol
SMILESOc1ccc2nccc(C3CCOCCN3)c2c1
InChIInChI=1S/C14H16N2O2/c17-10-1-2-13-12(9-10)11(3-5-15-13)14-4-7-18-8-6-16-14/h1-3,5,9,14,16-17H,4,6-8H2
InChIKeyDTMVISAUAICQHG-UHFFFAOYSA-N
XLogP1.99
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(1,4-oxazepan-5-yl)quinolin-6-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

5-(6-methylquinolin-4-yl)-1,4-oxazepane
CID 82664296
4-(1,4-oxazepan-7-yl)quinolin-6-ol
CID 82664621
3-(6-methylquinolin-4-yl)-1,4-oxazepane
CID 82664305
3-(6-chloroquinolin-4-yl)-1,4-oxazepane
CID 82666518
4-(azepan-2-yl)quinoline
CID 81147055
2-[(3R)-morpholin-3-yl]benzene-1,4-diol;hydrochloride
CID 171192528
3-fluoro-4-morpholin-3-ylphenol
CID 55271299
5-[(2R)-pyrrolidin-2-yl]quinoline
CID 66518640
5-(6-chloroquinolin-2-yl)-1,4-oxazepane
CID 82666507
(5S)-5-phenyl-1,4-oxazepane
CID 86332618
6-[(3R)-morpholin-3-yl]pyridin-3-ol
CID 55274122
3-methoxy-4-morpholin-3-ylphenol
CID 130022201

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-oxazepan-5-yl)quinolin-6-ol?
The IUPAC name of 4-(1,4-oxazepan-5-yl)quinolin-6-ol (CID 82664629) is 4-(1,4-oxazepan-5-yl)quinolin-6-ol.
What is the SMILES notation for 4-(1,4-oxazepan-5-yl)quinolin-6-ol?
The canonical SMILES for 4-(1,4-oxazepan-5-yl)quinolin-6-ol is Oc1ccc2nccc(C3CCOCCN3)c2c1.
What is the InChIKey of 4-(1,4-oxazepan-5-yl)quinolin-6-ol?
The InChIKey is DTMVISAUAICQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-10-1-2-13-12(9-10)11(3-5-15-13)14-4-7-18-8-6-16-14/h1-3,5,9,14,16-17H,4,6-8H2.
What are the key properties of 4-(1,4-oxazepan-5-yl)quinolin-6-ol?
4-(1,4-oxazepan-5-yl)quinolin-6-ol has a molecular weight of 244.29 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-oxazepan-5-yl)quinolin-6-ol is sourced from PubChem (CID 82664629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).