[1-[3-(aminomethyl)quinolin-2-yl]azepan-2-yl]methanol

C17H23N3O — CID 116634094

IUPAC[1-[3-(aminomethyl)quinolin-2-yl]azepan-2-yl]methanol
SMILESNCc1cc2ccccc2nc1N1CCCCCC1CO
InChIInChI=1S/C17H23N3O/c18-11-14-10-13-6-3-4-8-16(13)19-17(14)20-9-5-1-2-7-15(20)12-21/h3-4,6,8,10,15,21H,1-2,5,7,9,11-12,18H2
InChIKeyDSADJXAOXMIRKX-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.43
Rot. Bonds3

About [1-[3-(aminomethyl)quinolin-2-yl]azepan-2-yl]methanol

[1-[3-(aminomethyl)quinolin-2-yl]azepan-2-yl]methanol (PubChem CID 116634094) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is [1-[3-(aminomethyl)quinolin-2-yl]azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-(aminomethyl)quinolin-2-yl]azepan-2-yl]methanol
PubChem CID116634094
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name[1-[3-(aminomethyl)quinolin-2-yl]azepan-2-yl]methanol
SMILESNCc1cc2ccccc2nc1N1CCCCCC1CO
InChIInChI=1S/C17H23N3O/c18-11-14-10-13-6-3-4-8-16(13)19-17(14)20-9-5-1-2-7-15(20)12-21/h3-4,6,8,10,15,21H,1-2,5,7,9,11-12,18H2
InChIKeyDSADJXAOXMIRKX-UHFFFAOYSA-N
XLogP2.43
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-[3-(aminomethyl)quinolin-2-yl]azepan-2-yl]methanol 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

[1-[3-(aminomethyl)quinolin-2-yl]pyrrolidin-2-yl]methanol
CID 61410857
[1-(3-methylquinolin-2-yl)azepan-2-yl]methanamine
CID 116640310
N'-hydroxy-2-[2-(hydroxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide
CID 77034286
3-(bromomethyl)-2-(2-ethylpiperidin-1-yl)quinoline
CID 107079898
[1-[3-(aminomethyl)-2-pyridinyl]piperidin-2-yl]methanol
CID 61407036
3-[1-[3-(hydroxymethyl)quinolin-2-yl]pyrrolidin-2-yl]propan-1-ol
CID 62469009
[(2R)-1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methanol
CID 97177742
[1-(2-methylquinolin-4-yl)piperidin-2-yl]methanol
CID 60716376
[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-2-yl]methanol
CID 62207536
[1-[2-(aminomethyl)phenyl]pyrrolidin-2-yl]methanol
CID 61407421
[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methanol
CID 22220871
[1-(3-methoxyquinoxalin-2-yl)pyrrolidin-2-yl]methanol
CID 71648493

Frequently Asked Questions

What is the IUPAC name of [1-[3-(aminomethyl)quinolin-2-yl]azepan-2-yl]methanol?
The IUPAC name of [1-[3-(aminomethyl)quinolin-2-yl]azepan-2-yl]methanol (CID 116634094) is [1-[3-(aminomethyl)quinolin-2-yl]azepan-2-yl]methanol.
What is the SMILES notation for [1-[3-(aminomethyl)quinolin-2-yl]azepan-2-yl]methanol?
The canonical SMILES for [1-[3-(aminomethyl)quinolin-2-yl]azepan-2-yl]methanol is NCc1cc2ccccc2nc1N1CCCCCC1CO.
What is the InChIKey of [1-[3-(aminomethyl)quinolin-2-yl]azepan-2-yl]methanol?
The InChIKey is DSADJXAOXMIRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c18-11-14-10-13-6-3-4-8-16(13)19-17(14)20-9-5-1-2-7-15(20)12-21/h3-4,6,8,10,15,21H,1-2,5,7,9,11-12,18H2.
What are the key properties of [1-[3-(aminomethyl)quinolin-2-yl]azepan-2-yl]methanol?
[1-[3-(aminomethyl)quinolin-2-yl]azepan-2-yl]methanol has a molecular weight of 285.39 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(aminomethyl)quinolin-2-yl]azepan-2-yl]methanol is sourced from PubChem (CID 116634094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).