2-(3-oxo-1,4-diazepane-1-carbonyl)-1H-quinolin-4-one

C15H15N3O3 — CID 62897216

IUPAC2-(3-oxo-1,4-diazepane-1-carbonyl)-1H-quinolin-4-one
SMILESO=C1CN(C(=O)c2cc(=O)c3ccccc3[nH]2)CCCN1
InChIInChI=1S/C15H15N3O3/c19-13-8-12(17-11-5-2-1-4-10(11)13)15(21)18-7-3-6-16-14(20)9-18/h1-2,4-5,8H,3,6-7,9H2,(H,16,20)(H,17,19)
InChIKeySZRJZMQFWFHJMV-UHFFFAOYSA-N
MW285.30 g/mol
LogP0.49
Rot. Bonds1

About 2-(3-oxo-1,4-diazepane-1-carbonyl)-1H-quinolin-4-one

2-(3-oxo-1,4-diazepane-1-carbonyl)-1H-quinolin-4-one (PubChem CID 62897216) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-(3-oxo-1,4-diazepane-1-carbonyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(3-oxo-1,4-diazepane-1-carbonyl)-1H-quinolin-4-one
PubChem CID62897216
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-(3-oxo-1,4-diazepane-1-carbonyl)-1H-quinolin-4-one
SMILESO=C1CN(C(=O)c2cc(=O)c3ccccc3[nH]2)CCCN1
InChIInChI=1S/C15H15N3O3/c19-13-8-12(17-11-5-2-1-4-10(11)13)15(21)18-7-3-6-16-14(20)9-18/h1-2,4-5,8H,3,6-7,9H2,(H,16,20)(H,17,19)
InChIKeySZRJZMQFWFHJMV-UHFFFAOYSA-N
XLogP0.49
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-oxo-1,4-diazepane-1-carbonyl)-1H-quinolin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

2-(piperidine-1-carbonyl)-1H-quinolin-4-one
CID 47120448
4-(1H-indole-4-carbonyl)-1,4-diazepan-2-one
CID 65360904
3-[5-(4-oxo-1H-quinoline-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid
CID 72902550
4-(quinoline-4-carbonyl)-1,4-diazepan-2-one
CID 78918249
4-(5-chloro-3-phenyl-1H-indole-2-carbonyl)-1,4-diazepan-2-one
CID 56914150
4-(1-chloroisoquinoline-3-carbonyl)-1,4-diazepan-2-one
CID 65366073
2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1H-quinolin-4-one
CID 95593582
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-1H-quinolin-4-one
CID 56810081
4-(3-bromobenzoyl)-1,4-diazepan-2-one
CID 62896483
2-[(2S)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]-1H-quinolin-4-one
CID 95215815
1-(2-methylpropyl)-5-(4-oxo-1H-quinoline-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56709110
2-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one
CID 72898151

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1,4-diazepane-1-carbonyl)-1H-quinolin-4-one?
The IUPAC name of 2-(3-oxo-1,4-diazepane-1-carbonyl)-1H-quinolin-4-one (CID 62897216) is 2-(3-oxo-1,4-diazepane-1-carbonyl)-1H-quinolin-4-one.
What is the SMILES notation for 2-(3-oxo-1,4-diazepane-1-carbonyl)-1H-quinolin-4-one?
The canonical SMILES for 2-(3-oxo-1,4-diazepane-1-carbonyl)-1H-quinolin-4-one is O=C1CN(C(=O)c2cc(=O)c3ccccc3[nH]2)CCCN1.
What is the InChIKey of 2-(3-oxo-1,4-diazepane-1-carbonyl)-1H-quinolin-4-one?
The InChIKey is SZRJZMQFWFHJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-13-8-12(17-11-5-2-1-4-10(11)13)15(21)18-7-3-6-16-14(20)9-18/h1-2,4-5,8H,3,6-7,9H2,(H,16,20)(H,17,19).
What are the key properties of 2-(3-oxo-1,4-diazepane-1-carbonyl)-1H-quinolin-4-one?
2-(3-oxo-1,4-diazepane-1-carbonyl)-1H-quinolin-4-one has a molecular weight of 285.30 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1,4-diazepane-1-carbonyl)-1H-quinolin-4-one is sourced from PubChem (CID 62897216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).