2-(1,4-diazepan-1-ylmethyl)quinoline

C15H19N3 — CID 15941168

IUPAC2-(1,4-diazepan-1-ylmethyl)quinoline
SMILESc1ccc2nc(CN3CCCNCC3)ccc2c1
InChIInChI=1S/C15H19N3/c1-2-5-15-13(4-1)6-7-14(17-15)12-18-10-3-8-16-9-11-18/h1-2,4-7,16H,3,8-12H2
InChIKeyAQFZDZSBMGHULO-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.03
Rot. Bonds2

About 2-(1,4-diazepan-1-ylmethyl)quinoline

2-(1,4-diazepan-1-ylmethyl)quinoline (PubChem CID 15941168) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-ylmethyl)quinoline.

Molecular Properties

Compound Name2-(1,4-diazepan-1-ylmethyl)quinoline
PubChem CID15941168
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-(1,4-diazepan-1-ylmethyl)quinoline
SMILESc1ccc2nc(CN3CCCNCC3)ccc2c1
InChIInChI=1S/C15H19N3/c1-2-5-15-13(4-1)6-7-14(17-15)12-18-10-3-8-16-9-11-18/h1-2,4-7,16H,3,8-12H2
InChIKeyAQFZDZSBMGHULO-UHFFFAOYSA-N
XLogP2.03
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-propan-2-yl-1,4-diazepan-1-yl)methyl]quinoline
CID 64858401
2-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]quinoline
CID 66201727
2-[[(3R)-3-methylpiperazin-1-yl]methyl]quinoline
CID 113345872
6-(quinolin-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64845221
2-[[4-(2-chloroethyl)piperazin-1-yl]methyl]quinoline
CID 63386827
1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]piperazine;tetrahydrochloride
CID 18770451
2-[(3-chloropiperidin-1-yl)methyl]quinoline
CID 63387139
1-(quinolin-2-ylmethyl)azetidin-3-amine
CID 63760715
2-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]quinoline
CID 64834096
1-[(5-bromo-2-pyridinyl)methyl]-1,4-diazepane
CID 115741251
dibromocobalt;1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]piperazine
CID 154596524
2-[(3R)-1-(quinolin-2-ylmethyl)piperidin-3-yl]oxyethanol
CID 95632037

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-ylmethyl)quinoline?
The IUPAC name of 2-(1,4-diazepan-1-ylmethyl)quinoline (CID 15941168) is 2-(1,4-diazepan-1-ylmethyl)quinoline.
What is the SMILES notation for 2-(1,4-diazepan-1-ylmethyl)quinoline?
The canonical SMILES for 2-(1,4-diazepan-1-ylmethyl)quinoline is c1ccc2nc(CN3CCCNCC3)ccc2c1.
What is the InChIKey of 2-(1,4-diazepan-1-ylmethyl)quinoline?
The InChIKey is AQFZDZSBMGHULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-2-5-15-13(4-1)6-7-14(17-15)12-18-10-3-8-16-9-11-18/h1-2,4-7,16H,3,8-12H2.
What are the key properties of 2-(1,4-diazepan-1-ylmethyl)quinoline?
2-(1,4-diazepan-1-ylmethyl)quinoline has a molecular weight of 241.34 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-ylmethyl)quinoline is sourced from PubChem (CID 15941168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).