[2-(1,4-oxazepan-4-yl)quinolin-4-yl]methanol

C15H18N2O2 — CID 62973118

IUPAC[2-(1,4-oxazepan-4-yl)quinolin-4-yl]methanol
SMILESOCc1cc(N2CCCOCC2)nc2ccccc12
InChIInChI=1S/C15H18N2O2/c18-11-12-10-15(17-6-3-8-19-9-7-17)16-14-5-2-1-4-13(12)14/h1-2,4-5,10,18H,3,6-9,11H2
InChIKeyOAYYVNRVTQYWDN-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.95
Rot. Bonds2

About [2-(1,4-oxazepan-4-yl)quinolin-4-yl]methanol

[2-(1,4-oxazepan-4-yl)quinolin-4-yl]methanol (PubChem CID 62973118) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is [2-(1,4-oxazepan-4-yl)quinolin-4-yl]methanol.

Molecular Properties

Compound Name[2-(1,4-oxazepan-4-yl)quinolin-4-yl]methanol
PubChem CID62973118
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name[2-(1,4-oxazepan-4-yl)quinolin-4-yl]methanol
SMILESOCc1cc(N2CCCOCC2)nc2ccccc12
InChIInChI=1S/C15H18N2O2/c18-11-12-10-15(17-6-3-8-19-9-7-17)16-14-5-2-1-4-13(12)14/h1-2,4-5,10,18H,3,6-9,11H2
InChIKeyOAYYVNRVTQYWDN-UHFFFAOYSA-N
XLogP1.95
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1,4-oxazepan-4-yl)quinolin-4-yl]methanol?
The IUPAC name of [2-(1,4-oxazepan-4-yl)quinolin-4-yl]methanol (CID 62973118) is [2-(1,4-oxazepan-4-yl)quinolin-4-yl]methanol.
What is the SMILES notation for [2-(1,4-oxazepan-4-yl)quinolin-4-yl]methanol?
The canonical SMILES for [2-(1,4-oxazepan-4-yl)quinolin-4-yl]methanol is OCc1cc(N2CCCOCC2)nc2ccccc12.
What is the InChIKey of [2-(1,4-oxazepan-4-yl)quinolin-4-yl]methanol?
The InChIKey is OAYYVNRVTQYWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-11-12-10-15(17-6-3-8-19-9-7-17)16-14-5-2-1-4-13(12)14/h1-2,4-5,10,18H,3,6-9,11H2.
What are the key properties of [2-(1,4-oxazepan-4-yl)quinolin-4-yl]methanol?
[2-(1,4-oxazepan-4-yl)quinolin-4-yl]methanol has a molecular weight of 258.32 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,4-oxazepan-4-yl)quinolin-4-yl]methanol is sourced from PubChem (CID 62973118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).