8-[(5-methyl-1,4-diazepan-1-yl)methyl]quinoline

C16H21N3 — CID 81423173

IUPAC8-[(5-methyl-1,4-diazepan-1-yl)methyl]quinoline
SMILESCC1CCN(Cc2cccc3cccnc23)CCN1
InChIInChI=1S/C16H21N3/c1-13-7-10-19(11-9-17-13)12-15-5-2-4-14-6-3-8-18-16(14)15/h2-6,8,13,17H,7,9-12H2,1H3
InChIKeyPEZVOGAHHNWSQF-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.42
Rot. Bonds2

About 8-[(5-methyl-1,4-diazepan-1-yl)methyl]quinoline

8-[(5-methyl-1,4-diazepan-1-yl)methyl]quinoline (PubChem CID 81423173) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 8-[(5-methyl-1,4-diazepan-1-yl)methyl]quinoline.

Molecular Properties

Compound Name8-[(5-methyl-1,4-diazepan-1-yl)methyl]quinoline
PubChem CID81423173
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name8-[(5-methyl-1,4-diazepan-1-yl)methyl]quinoline
SMILESCC1CCN(Cc2cccc3cccnc23)CCN1
InChIInChI=1S/C16H21N3/c1-13-7-10-19(11-9-17-13)12-15-5-2-4-14-6-3-8-18-16(14)15/h2-6,8,13,17H,7,9-12H2,1H3
InChIKeyPEZVOGAHHNWSQF-UHFFFAOYSA-N
XLogP2.42
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-[(5-methyl-1,4-diazepan-1-yl)methyl]quinoline 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-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025621
1-(quinolin-8-ylmethyl)piperidine-4-carbaldehyde
CID 62654466
N'-hydroxy-1-(quinolin-8-ylmethyl)piperidine-4-carboximidamide
CID 77038510
8-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline
CID 64832242
8-[[(2R)-2-methylpiperazin-1-yl]methyl]quinoline
CID 82713629
8-[[(3S)-3-methylpiperazin-1-yl]sulfonylmethyl]quinoline
CID 124695192
8-[[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methyl]quinoline
CID 92566378
8-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]quinoline
CID 30385370
1-(quinolin-8-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63031197
N-propyl-1-(quinolin-8-ylmethyl)pyrrolidin-3-amine
CID 81427742
8-[2-[2-(piperazin-1-ylmethyl)phenyl]phenyl]quinoline
CID 91803359
2-(4-methylpiperidin-1-yl)-N-(quinolin-8-ylmethyl)ethanamine
CID 61239909

Frequently Asked Questions

What is the IUPAC name of 8-[(5-methyl-1,4-diazepan-1-yl)methyl]quinoline?
The IUPAC name of 8-[(5-methyl-1,4-diazepan-1-yl)methyl]quinoline (CID 81423173) is 8-[(5-methyl-1,4-diazepan-1-yl)methyl]quinoline.
What is the SMILES notation for 8-[(5-methyl-1,4-diazepan-1-yl)methyl]quinoline?
The canonical SMILES for 8-[(5-methyl-1,4-diazepan-1-yl)methyl]quinoline is CC1CCN(Cc2cccc3cccnc23)CCN1.
What is the InChIKey of 8-[(5-methyl-1,4-diazepan-1-yl)methyl]quinoline?
The InChIKey is PEZVOGAHHNWSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-13-7-10-19(11-9-17-13)12-15-5-2-4-14-6-3-8-18-16(14)15/h2-6,8,13,17H,7,9-12H2,1H3.
What are the key properties of 8-[(5-methyl-1,4-diazepan-1-yl)methyl]quinoline?
8-[(5-methyl-1,4-diazepan-1-yl)methyl]quinoline has a molecular weight of 255.37 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-methyl-1,4-diazepan-1-yl)methyl]quinoline is sourced from PubChem (CID 81423173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).