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

C16H21N3 — CID 86344482

IUPAC6-[(1-methyl-1,4-diazepan-6-yl)methyl]quinoline
SMILESCN1CCNCC(Cc2ccc3ncccc3c2)C1
InChIInChI=1S/C16H21N3/c1-19-8-7-17-11-14(12-19)9-13-4-5-16-15(10-13)3-2-6-18-16/h2-6,10,14,17H,7-9,11-12H2,1H3
InChIKeyREFLGCZWCBZLRY-UHFFFAOYSA-N
MW255.37 g/mol
LogP1.93
Rot. Bonds2

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

6-[(1-methyl-1,4-diazepan-6-yl)methyl]quinoline (PubChem CID 86344482) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 6-[(1-methyl-1,4-diazepan-6-yl)methyl]quinoline.

Molecular Properties

Compound Name6-[(1-methyl-1,4-diazepan-6-yl)methyl]quinoline
PubChem CID86344482
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name6-[(1-methyl-1,4-diazepan-6-yl)methyl]quinoline
SMILESCN1CCNCC(Cc2ccc3ncccc3c2)C1
InChIInChI=1S/C16H21N3/c1-19-8-7-17-11-14(12-19)9-13-4-5-16-15(10-13)3-2-6-18-16/h2-6,10,14,17H,7-9,11-12H2,1H3
InChIKeyREFLGCZWCBZLRY-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-(1-methylpiperazin-2-yl)ethyl]quinoline
CID 116997360
6-(azepan-4-ylmethyl)quinoline
CID 155906957
6-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025620
7-(piperidin-3-ylmethyl)quinoline
CID 84791058
(6-methyl-2-pyridinyl)-[(6R)-4-methyl-6-(quinolin-6-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 124969600
1-(quinolin-6-ylmethyl)piperazine-2-carbonitrile
CID 79086115
6-[[(3S)-3-methylpiperazin-1-yl]methyl]quinoline
CID 103885682
(2S)-2-methyl-N-(quinolin-6-ylmethyl)piperazine-1-carboxamide
CID 128810991
6-(piperidin-3-ylmethoxymethyl)quinoline
CID 55060712
[4-methyl-1-(quinolin-6-ylmethyl)piperazin-2-yl]methanamine
CID 80504294
4-(quinolin-6-ylmethyl)cyclohexan-1-one
CID 116997362
tert-butyl 4-(quinolin-6-ylmethyl)piperidine-1-carboxylate
CID 174880299

Frequently Asked Questions

What is the IUPAC name of 6-[(1-methyl-1,4-diazepan-6-yl)methyl]quinoline?
The IUPAC name of 6-[(1-methyl-1,4-diazepan-6-yl)methyl]quinoline (CID 86344482) is 6-[(1-methyl-1,4-diazepan-6-yl)methyl]quinoline.
What is the SMILES notation for 6-[(1-methyl-1,4-diazepan-6-yl)methyl]quinoline?
The canonical SMILES for 6-[(1-methyl-1,4-diazepan-6-yl)methyl]quinoline is CN1CCNCC(Cc2ccc3ncccc3c2)C1.
What is the InChIKey of 6-[(1-methyl-1,4-diazepan-6-yl)methyl]quinoline?
The InChIKey is REFLGCZWCBZLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-19-8-7-17-11-14(12-19)9-13-4-5-16-15(10-13)3-2-6-18-16/h2-6,10,14,17H,7-9,11-12H2,1H3.
What are the key properties of 6-[(1-methyl-1,4-diazepan-6-yl)methyl]quinoline?
6-[(1-methyl-1,4-diazepan-6-yl)methyl]quinoline has a molecular weight of 255.37 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methyl-1,4-diazepan-6-yl)methyl]quinoline is sourced from PubChem (CID 86344482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).