1-(4-aminoquinoline-2-carbonyl)-1,4-diazepan-5-one

C15H16N4O2 — CID 63375057

IUPAC1-(4-aminoquinoline-2-carbonyl)-1,4-diazepan-5-one
SMILESNc1cc(C(=O)N2CCNC(=O)CC2)nc2ccccc12
InChIInChI=1S/C15H16N4O2/c16-11-9-13(18-12-4-2-1-3-10(11)12)15(21)19-7-5-14(20)17-6-8-19/h1-4,9H,5-8H2,(H2,16,18)(H,17,20)
InChIKeyRIZYCWDVAFEWFZ-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.78
Rot. Bonds1

About 1-(4-aminoquinoline-2-carbonyl)-1,4-diazepan-5-one

1-(4-aminoquinoline-2-carbonyl)-1,4-diazepan-5-one (PubChem CID 63375057) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-(4-aminoquinoline-2-carbonyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-(4-aminoquinoline-2-carbonyl)-1,4-diazepan-5-one
PubChem CID63375057
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name1-(4-aminoquinoline-2-carbonyl)-1,4-diazepan-5-one
SMILESNc1cc(C(=O)N2CCNC(=O)CC2)nc2ccccc12
InChIInChI=1S/C15H16N4O2/c16-11-9-13(18-12-4-2-1-3-10(11)12)15(21)19-7-5-14(20)17-6-8-19/h1-4,9H,5-8H2,(H2,16,18)(H,17,20)
InChIKeyRIZYCWDVAFEWFZ-UHFFFAOYSA-N
XLogP0.78
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-aminoquinoline-2-carbonyl)-1,4-diazepan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminoquinoline-2-carbonyl)-1,4-diazepan-5-one?
The IUPAC name of 1-(4-aminoquinoline-2-carbonyl)-1,4-diazepan-5-one (CID 63375057) is 1-(4-aminoquinoline-2-carbonyl)-1,4-diazepan-5-one.
What is the SMILES notation for 1-(4-aminoquinoline-2-carbonyl)-1,4-diazepan-5-one?
The canonical SMILES for 1-(4-aminoquinoline-2-carbonyl)-1,4-diazepan-5-one is Nc1cc(C(=O)N2CCNC(=O)CC2)nc2ccccc12.
What is the InChIKey of 1-(4-aminoquinoline-2-carbonyl)-1,4-diazepan-5-one?
The InChIKey is RIZYCWDVAFEWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c16-11-9-13(18-12-4-2-1-3-10(11)12)15(21)19-7-5-14(20)17-6-8-19/h1-4,9H,5-8H2,(H2,16,18)(H,17,20).
What are the key properties of 1-(4-aminoquinoline-2-carbonyl)-1,4-diazepan-5-one?
1-(4-aminoquinoline-2-carbonyl)-1,4-diazepan-5-one has a molecular weight of 284.32 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminoquinoline-2-carbonyl)-1,4-diazepan-5-one is sourced from PubChem (CID 63375057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).