azepan-2-yl-(2-methylquinolin-4-yl)methanol

C17H22N2O — CID 79235774

IUPACazepan-2-yl-(2-methylquinolin-4-yl)methanol
SMILESCc1cc(C(O)C2CCCCCN2)c2ccccc2n1
InChIInChI=1S/C17H22N2O/c1-12-11-14(13-7-4-5-8-15(13)19-12)17(20)16-9-3-2-6-10-18-16/h4-5,7-8,11,16-18,20H,2-3,6,9-10H2,1H3
InChIKeyJABXPRGVHWHZLL-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.11
Rot. Bonds2

About azepan-2-yl-(2-methylquinolin-4-yl)methanol

azepan-2-yl-(2-methylquinolin-4-yl)methanol (PubChem CID 79235774) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is azepan-2-yl-(2-methylquinolin-4-yl)methanol.

Molecular Properties

Compound Nameazepan-2-yl-(2-methylquinolin-4-yl)methanol
PubChem CID79235774
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Nameazepan-2-yl-(2-methylquinolin-4-yl)methanol
SMILESCc1cc(C(O)C2CCCCCN2)c2ccccc2n1
InChIInChI=1S/C17H22N2O/c1-12-11-14(13-7-4-5-8-15(13)19-12)17(20)16-9-3-2-6-10-18-16/h4-5,7-8,11,16-18,20H,2-3,6,9-10H2,1H3
InChIKeyJABXPRGVHWHZLL-UHFFFAOYSA-N
XLogP3.11
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-[2-(4-methoxyphenyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol
CID 53298715
(R)-[(2R)-piperidin-2-yl]-[2-[4-(trifluoromethyl)phenyl]quinolin-4-yl]methanol;(S)-[(2S)-piperidin-2-yl]-[2-[4-(trifluoromethyl)phenyl]quinolin-4-yl]methanol
CID 159870568
5-[4-[(R)-hydroxy-[(2S)-piperidin-2-yl]methyl]quinolin-2-yl]-2-methylbenzonitrile;dihydrochloride
CID 155566383
[2-(4-methoxyphenyl)quinolin-4-yl]-pyrrolidin-2-ylmethanol
CID 78129978
[2,3-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol
CID 87440153
2-[azepan-2-yl(hydroxy)methyl]phenol
CID 84686926
(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;hydrazine
CID 87721844
(2-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 164654197
3-cyclopropyl-1-(2-methylquinolin-4-yl)propan-1-ol
CID 105105790
piperidin-2-yl(quinolin-2-yl)methanol;hydrobromide
CID 54609992
2-piperidin-2-yl-1-(2-propan-2-ylquinolin-4-yl)ethanol
CID 90669677
(2-methoxy-3,5-dimethylphenyl)-piperidin-2-ylmethanol
CID 82341661

Frequently Asked Questions

What is the IUPAC name of azepan-2-yl-(2-methylquinolin-4-yl)methanol?
The IUPAC name of azepan-2-yl-(2-methylquinolin-4-yl)methanol (CID 79235774) is azepan-2-yl-(2-methylquinolin-4-yl)methanol.
What is the SMILES notation for azepan-2-yl-(2-methylquinolin-4-yl)methanol?
The canonical SMILES for azepan-2-yl-(2-methylquinolin-4-yl)methanol is Cc1cc(C(O)C2CCCCCN2)c2ccccc2n1.
What is the InChIKey of azepan-2-yl-(2-methylquinolin-4-yl)methanol?
The InChIKey is JABXPRGVHWHZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12-11-14(13-7-4-5-8-15(13)19-12)17(20)16-9-3-2-6-10-18-16/h4-5,7-8,11,16-18,20H,2-3,6,9-10H2,1H3.
What are the key properties of azepan-2-yl-(2-methylquinolin-4-yl)methanol?
azepan-2-yl-(2-methylquinolin-4-yl)methanol has a molecular weight of 270.38 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-2-yl-(2-methylquinolin-4-yl)methanol is sourced from PubChem (CID 79235774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).