6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline

C16H21N3 — CID 102596393

IUPAC6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline
SMILESCN1CCCN(Cc2ccc3ncccc3c2)CC1
InChIInChI=1S/C16H21N3/c1-18-8-3-9-19(11-10-18)13-14-5-6-16-15(12-14)4-2-7-17-16/h2,4-7,12H,3,8-11,13H2,1H3
InChIKeyDIQRHBUDTKMUNJ-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.37
Rot. Bonds2

About 6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline

6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline (PubChem CID 102596393) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline.

Molecular Properties

Compound Name6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline
PubChem CID102596393
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline
SMILESCN1CCCN(Cc2ccc3ncccc3c2)CC1
InChIInChI=1S/C16H21N3/c1-18-8-3-9-19(11-10-18)13-14-5-6-16-15(12-14)4-2-7-17-16/h2,4-7,12H,3,8-11,13H2,1H3
InChIKeyDIQRHBUDTKMUNJ-UHFFFAOYSA-N
XLogP2.37
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-[(4-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

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline?
The IUPAC name of 6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline (CID 102596393) is 6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline.
What is the SMILES notation for 6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline?
The canonical SMILES for 6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline is CN1CCCN(Cc2ccc3ncccc3c2)CC1.
What is the InChIKey of 6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline?
The InChIKey is DIQRHBUDTKMUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-18-8-3-9-19(11-10-18)13-14-5-6-16-15(12-14)4-2-7-17-16/h2,4-7,12H,3,8-11,13H2,1H3.
What are the key properties of 6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline?
6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline has a molecular weight of 255.37 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline is sourced from PubChem (CID 102596393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).