1-(5-amino-7-fluoroquinolin-8-yl)-1,4-diazepan-5-one

C14H15FN4O — CID 83164796

IUPAC1-(5-amino-7-fluoroquinolin-8-yl)-1,4-diazepan-5-one
SMILESNc1cc(F)c(N2CCNC(=O)CC2)c2ncccc12
InChIInChI=1S/C14H15FN4O/c15-10-8-11(16)9-2-1-4-18-13(9)14(10)19-6-3-12(20)17-5-7-19/h1-2,4,8H,3,5-7,16H2,(H,17,20)
InChIKeyIHASUDWVRXXRIX-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.28
Rot. Bonds1

About 1-(5-amino-7-fluoroquinolin-8-yl)-1,4-diazepan-5-one

1-(5-amino-7-fluoroquinolin-8-yl)-1,4-diazepan-5-one (PubChem CID 83164796) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is 1-(5-amino-7-fluoroquinolin-8-yl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-(5-amino-7-fluoroquinolin-8-yl)-1,4-diazepan-5-one
PubChem CID83164796
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name1-(5-amino-7-fluoroquinolin-8-yl)-1,4-diazepan-5-one
SMILESNc1cc(F)c(N2CCNC(=O)CC2)c2ncccc12
InChIInChI=1S/C14H15FN4O/c15-10-8-11(16)9-2-1-4-18-13(9)14(10)19-6-3-12(20)17-5-7-19/h1-2,4,8H,3,5-7,16H2,(H,17,20)
InChIKeyIHASUDWVRXXRIX-UHFFFAOYSA-N
XLogP1.28
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.28
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

Acetamide, 2,2,2-trifluoro-N-8-quinolinyl-
CID 148136
N-(quinolin-8-yl)-6-(sulfamoylamino)hexanamide
CID 25216936
N-quinolin-8-ylpropanamide
CID 2963713
5-Acetylaminoquinoline
CID 162518
3-Acetylaminoquinoline
CID 79448
N-1,10-phenanthrolin-5-ylacetamide
CID 18719622
8-[1,4]Diazepan-1-yl-5-nitro-quinoline
CID 16682697
Quinoline-5,6-diamine
CID 426874
2-(4-fluorophenyl)-N-(8-quinolinyl)acetamide
CID 836402
N-(8-quinolinyl)cyclopentanecarboxamide
CID 836584
3-(3,4-dihydro-2H-quinolin-1-yl)-N-quinolin-8-ylpropanamide
CID 109035056
N-(6-fluoroquinolin-8-yl)pyrazine-2-carboxamide
CID 124087855

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-7-fluoroquinolin-8-yl)-1,4-diazepan-5-one?
The IUPAC name of 1-(5-amino-7-fluoroquinolin-8-yl)-1,4-diazepan-5-one (CID 83164796) is 1-(5-amino-7-fluoroquinolin-8-yl)-1,4-diazepan-5-one.
What is the SMILES notation for 1-(5-amino-7-fluoroquinolin-8-yl)-1,4-diazepan-5-one?
The canonical SMILES for 1-(5-amino-7-fluoroquinolin-8-yl)-1,4-diazepan-5-one is Nc1cc(F)c(N2CCNC(=O)CC2)c2ncccc12.
What is the InChIKey of 1-(5-amino-7-fluoroquinolin-8-yl)-1,4-diazepan-5-one?
The InChIKey is IHASUDWVRXXRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c15-10-8-11(16)9-2-1-4-18-13(9)14(10)19-6-3-12(20)17-5-7-19/h1-2,4,8H,3,5-7,16H2,(H,17,20).
What are the key properties of 1-(5-amino-7-fluoroquinolin-8-yl)-1,4-diazepan-5-one?
1-(5-amino-7-fluoroquinolin-8-yl)-1,4-diazepan-5-one has a molecular weight of 274.30 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-7-fluoroquinolin-8-yl)-1,4-diazepan-5-one is sourced from PubChem (CID 83164796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).