4-(5-aminoquinolin-6-yl)-1,4-diazepan-2-one

C14H16N4O — CID 65361303

IUPAC4-(5-aminoquinolin-6-yl)-1,4-diazepan-2-one
SMILESNc1c(N2CCCNC(=O)C2)ccc2ncccc12
InChIInChI=1S/C14H16N4O/c15-14-10-3-1-6-16-11(10)4-5-12(14)18-8-2-7-17-13(19)9-18/h1,3-6H,2,7-9,15H2,(H,17,19)
InChIKeyFFZCPJAOATXAIU-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.14
Rot. Bonds1

About 4-(5-aminoquinolin-6-yl)-1,4-diazepan-2-one

4-(5-aminoquinolin-6-yl)-1,4-diazepan-2-one (PubChem CID 65361303) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-(5-aminoquinolin-6-yl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(5-aminoquinolin-6-yl)-1,4-diazepan-2-one
PubChem CID65361303
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name4-(5-aminoquinolin-6-yl)-1,4-diazepan-2-one
SMILESNc1c(N2CCCNC(=O)C2)ccc2ncccc12
InChIInChI=1S/C14H16N4O/c15-14-10-3-1-6-16-11(10)4-5-12(14)18-8-2-7-17-13(19)9-18/h1,3-6H,2,7-9,15H2,(H,17,19)
InChIKeyFFZCPJAOATXAIU-UHFFFAOYSA-N
XLogP1.14
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(5-aminoquinolin-8-yl)-1,4-diazepan-2-one
CID 65361499
4-(2-amino-3-pyridinyl)piperazin-2-one
CID 104539681
4-(5-amino-3-bromoquinolin-8-yl)-1,4-diazepan-2-one
CID 106949452
6-(4-methylpiperidin-1-yl)quinolin-5-amine
CID 43809477
4-(5-aminoquinolin-6-yl)-3,3-dimethylpiperazin-2-one
CID 63596512
6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinolin-5-amine
CID 66393066
6-(4-ethylpiperazin-1-yl)quinolin-5-amine
CID 43809494
4-[(3-amino-2-pyridinyl)sulfonyl]-1,4-diazepan-2-one
CID 103306320
3-amino-4-(3-oxo-1,4-diazepan-1-yl)benzonitrile
CID 65361348
6-(2,2-dimethylmorpholin-4-yl)quinolin-5-amine
CID 43809754
6-(3,5-dimethylpiperidin-1-yl)quinolin-5-amine
CID 43809501
4-(quinoline-5-carbonyl)-1,4-diazepan-2-one
CID 62898516

Frequently Asked Questions

What is the IUPAC name of 4-(5-aminoquinolin-6-yl)-1,4-diazepan-2-one?
The IUPAC name of 4-(5-aminoquinolin-6-yl)-1,4-diazepan-2-one (CID 65361303) is 4-(5-aminoquinolin-6-yl)-1,4-diazepan-2-one.
What is the SMILES notation for 4-(5-aminoquinolin-6-yl)-1,4-diazepan-2-one?
The canonical SMILES for 4-(5-aminoquinolin-6-yl)-1,4-diazepan-2-one is Nc1c(N2CCCNC(=O)C2)ccc2ncccc12.
What is the InChIKey of 4-(5-aminoquinolin-6-yl)-1,4-diazepan-2-one?
The InChIKey is FFZCPJAOATXAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-14-10-3-1-6-16-11(10)4-5-12(14)18-8-2-7-17-13(19)9-18/h1,3-6H,2,7-9,15H2,(H,17,19).
What are the key properties of 4-(5-aminoquinolin-6-yl)-1,4-diazepan-2-one?
4-(5-aminoquinolin-6-yl)-1,4-diazepan-2-one has a molecular weight of 256.31 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-aminoquinolin-6-yl)-1,4-diazepan-2-one is sourced from PubChem (CID 65361303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).