1-(quinolin-6-ylmethyl)-1,4-diazepan-2-one

C15H17N3O — CID 65362005

IUPAC1-(quinolin-6-ylmethyl)-1,4-diazepan-2-one
SMILESO=C1CNCCCN1Cc1ccc2ncccc2c1
InChIInChI=1S/C15H17N3O/c19-15-10-16-6-2-8-18(15)11-12-4-5-14-13(9-12)3-1-7-17-14/h1,3-5,7,9,16H,2,6,8,10-11H2
InChIKeyYYAMSOLGGQYQSM-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.56
Rot. Bonds2

About 1-(quinolin-6-ylmethyl)-1,4-diazepan-2-one

1-(quinolin-6-ylmethyl)-1,4-diazepan-2-one (PubChem CID 65362005) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(quinolin-6-ylmethyl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name1-(quinolin-6-ylmethyl)-1,4-diazepan-2-one
PubChem CID65362005
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-(quinolin-6-ylmethyl)-1,4-diazepan-2-one
SMILESO=C1CNCCCN1Cc1ccc2ncccc2c1
InChIInChI=1S/C15H17N3O/c19-15-10-16-6-2-8-18(15)11-12-4-5-14-13(9-12)3-1-7-17-14/h1,3-5,7,9,16H,2,6,8,10-11H2
InChIKeyYYAMSOLGGQYQSM-UHFFFAOYSA-N
XLogP1.56
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025620
1-[(3,4-difluorophenyl)methyl]-1,4-diazepan-2-one
CID 82930342
1-[(3,5-difluorophenyl)methyl]-1,4-diazepan-2-one
CID 105407900
1-[(3,5-dimethylphenyl)methyl]-1,4-diazepan-2-one
CID 65362060
1-[[4-(hydroxymethyl)phenyl]methyl]-1,4-diazepan-2-one
CID 113365948
3-[(2-oxo-1,4-diazepan-1-yl)methyl]benzamide
CID 65362431
1-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-2-one
CID 65362122
1-(pyridin-4-ylmethyl)-1,4-diazocan-2-one
CID 117016152
3-methyl-1-(quinolin-6-ylmethyl)-1,4-diazepane-2,5-dione
CID 64881992
7-(quinolin-6-ylmethyl)-5,7-diazaspiro[3.4]octane-6,8-dione
CID 136532201
3-ethyl-1-(quinolin-6-ylmethyl)piperazine-2,5-dione
CID 64880979
4-[(2-oxo-1,4-diazepan-1-yl)methyl]benzamide
CID 65362067

Frequently Asked Questions

What is the IUPAC name of 1-(quinolin-6-ylmethyl)-1,4-diazepan-2-one?
The IUPAC name of 1-(quinolin-6-ylmethyl)-1,4-diazepan-2-one (CID 65362005) is 1-(quinolin-6-ylmethyl)-1,4-diazepan-2-one.
What is the SMILES notation for 1-(quinolin-6-ylmethyl)-1,4-diazepan-2-one?
The canonical SMILES for 1-(quinolin-6-ylmethyl)-1,4-diazepan-2-one is O=C1CNCCCN1Cc1ccc2ncccc2c1.
What is the InChIKey of 1-(quinolin-6-ylmethyl)-1,4-diazepan-2-one?
The InChIKey is YYAMSOLGGQYQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c19-15-10-16-6-2-8-18(15)11-12-4-5-14-13(9-12)3-1-7-17-14/h1,3-5,7,9,16H,2,6,8,10-11H2.
What are the key properties of 1-(quinolin-6-ylmethyl)-1,4-diazepan-2-one?
1-(quinolin-6-ylmethyl)-1,4-diazepan-2-one has a molecular weight of 255.32 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(quinolin-6-ylmethyl)-1,4-diazepan-2-one is sourced from PubChem (CID 65362005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).