methanol;5-[(4-methyl-1,4-diazepan-1-yl)methyl]quinolin-8-ol

C17H25N3O2 — CID 142849611

IUPACmethanol;5-[(4-methyl-1,4-diazepan-1-yl)methyl]quinolin-8-ol
SMILESCN1CCCN(Cc2ccc(O)c3ncccc23)CC1.CO
InChIInChI=1S/C16H21N3O.CH4O/c1-18-8-3-9-19(11-10-18)12-13-5-6-15(20)16-14(13)4-2-7-17-16;1-2/h2,4-7,20H,3,8-12H2,1H3;2H,1H3
InChIKeyIIASXXGVHYOXSN-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.69
Rot. Bonds2

About methanol;5-[(4-methyl-1,4-diazepan-1-yl)methyl]quinolin-8-ol

methanol;5-[(4-methyl-1,4-diazepan-1-yl)methyl]quinolin-8-ol (PubChem CID 142849611) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is methanol;5-[(4-methyl-1,4-diazepan-1-yl)methyl]quinolin-8-ol.

Molecular Properties

Compound Namemethanol;5-[(4-methyl-1,4-diazepan-1-yl)methyl]quinolin-8-ol
PubChem CID142849611
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Namemethanol;5-[(4-methyl-1,4-diazepan-1-yl)methyl]quinolin-8-ol
SMILESCN1CCCN(Cc2ccc(O)c3ncccc23)CC1.CO
InChIInChI=1S/C16H21N3O.CH4O/c1-18-8-3-9-19(11-10-18)12-13-5-6-15(20)16-14(13)4-2-7-17-16;1-2/h2,4-7,20H,3,8-12H2,1H3;2H,1H3
InChIKeyIIASXXGVHYOXSN-UHFFFAOYSA-N
XLogP1.69
TPSA59.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methanol;5-[(4-methyl-1,4-diazepan-1-yl)methyl]quinolin-8-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

8-Hydroxyquinoline
CID 1923
8-Hydroxyquinoline N-oxide
CID 14312
5-Methyl-8-hydroxyquinoline
CID 71208
5-(N-methyl-N-propargylaminomethyl)-8-hydroxyquinoline
CID 6918822
5-Fluoro-8-quinolinol
CID 217907
5-(1-Piperidinylmethyl)-8-quinolinol
CID 279619
5-(4-Morpholinylmethyl)-8-quinolinol
CID 1090303
5-(Hydroxymethyl)quinolin-8-ol
CID 675786
7-(Piperidin-1-ylmethyl)quinolin-8-ol
CID 245742
Quinosol
CID 11507008
4-Methyl-8-hydroxyquinoline
CID 345169
Hla-20
CID 6918819

Frequently Asked Questions

What is the IUPAC name of methanol;5-[(4-methyl-1,4-diazepan-1-yl)methyl]quinolin-8-ol?
The IUPAC name of methanol;5-[(4-methyl-1,4-diazepan-1-yl)methyl]quinolin-8-ol (CID 142849611) is methanol;5-[(4-methyl-1,4-diazepan-1-yl)methyl]quinolin-8-ol.
What is the SMILES notation for methanol;5-[(4-methyl-1,4-diazepan-1-yl)methyl]quinolin-8-ol?
The canonical SMILES for methanol;5-[(4-methyl-1,4-diazepan-1-yl)methyl]quinolin-8-ol is CN1CCCN(Cc2ccc(O)c3ncccc23)CC1.CO.
What is the InChIKey of methanol;5-[(4-methyl-1,4-diazepan-1-yl)methyl]quinolin-8-ol?
The InChIKey is IIASXXGVHYOXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O.CH4O/c1-18-8-3-9-19(11-10-18)12-13-5-6-15(20)16-14(13)4-2-7-17-16;1-2/h2,4-7,20H,3,8-12H2,1H3;2H,1H3.
What are the key properties of methanol;5-[(4-methyl-1,4-diazepan-1-yl)methyl]quinolin-8-ol?
methanol;5-[(4-methyl-1,4-diazepan-1-yl)methyl]quinolin-8-ol has a molecular weight of 303.41 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;5-[(4-methyl-1,4-diazepan-1-yl)methyl]quinolin-8-ol is sourced from PubChem (CID 142849611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).