6-(azepan-4-ylmethyl)quinoline

C16H20N2 — CID 155906957

IUPAC6-(azepan-4-ylmethyl)quinoline
SMILESc1cnc2ccc(CC3CCCNCC3)cc2c1
InChIInChI=1S/C16H20N2/c1-3-13(7-10-17-8-1)11-14-5-6-16-15(12-14)4-2-9-18-16/h2,4-6,9,12-13,17H,1,3,7-8,10-11H2
InChIKeyMETCVFJLVXPMEZ-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.17
Rot. Bonds2

About 6-(azepan-4-ylmethyl)quinoline

6-(azepan-4-ylmethyl)quinoline (PubChem CID 155906957) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 6-(azepan-4-ylmethyl)quinoline.

Molecular Properties

Compound Name6-(azepan-4-ylmethyl)quinoline
PubChem CID155906957
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name6-(azepan-4-ylmethyl)quinoline
SMILESc1cnc2ccc(CC3CCCNCC3)cc2c1
InChIInChI=1S/C16H20N2/c1-3-13(7-10-17-8-1)11-14-5-6-16-15(12-14)4-2-9-18-16/h2,4-6,9,12-13,17H,1,3,7-8,10-11H2
InChIKeyMETCVFJLVXPMEZ-UHFFFAOYSA-N
XLogP3.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-(piperidin-3-ylmethyl)quinoline
CID 84791058
4-(quinolin-6-ylmethyl)cyclohexan-1-one
CID 116997362
6-(piperidin-3-ylmethoxymethyl)quinoline
CID 55060712
3-(piperidin-4-ylmethyl)quinoline;dihydrochloride
CID 53407804
N-methyl-N-(quinolin-6-ylmethyl)piperidin-4-amine
CID 43607729
3-methyl-6-(piperidin-4-ylmethyl)quinoline
CID 116997415
4-[(3,4-dichlorophenyl)methyl]azepane
CID 83261164
6-[(1-methyl-1,4-diazepan-6-yl)methyl]quinoline
CID 86344482
5-(piperidin-4-ylmethyl)-2H-benzotriazole
CID 84784846
3-methyl-6-(piperidin-3-ylmethyl)quinoline
CID 116997414
6-(azepan-4-yloxy)quinoline
CID 117051458
6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]quinoline
CID 175576427

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-4-ylmethyl)quinoline?
The IUPAC name of 6-(azepan-4-ylmethyl)quinoline (CID 155906957) is 6-(azepan-4-ylmethyl)quinoline.
What is the SMILES notation for 6-(azepan-4-ylmethyl)quinoline?
The canonical SMILES for 6-(azepan-4-ylmethyl)quinoline is c1cnc2ccc(CC3CCCNCC3)cc2c1.
What is the InChIKey of 6-(azepan-4-ylmethyl)quinoline?
The InChIKey is METCVFJLVXPMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-3-13(7-10-17-8-1)11-14-5-6-16-15(12-14)4-2-9-18-16/h2,4-6,9,12-13,17H,1,3,7-8,10-11H2.
What are the key properties of 6-(azepan-4-ylmethyl)quinoline?
6-(azepan-4-ylmethyl)quinoline has a molecular weight of 240.35 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-4-ylmethyl)quinoline is sourced from PubChem (CID 155906957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).