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

C15H15N3O2 — CID 62898516

IUPAC4-(quinoline-5-carbonyl)-1,4-diazepan-2-one
SMILESO=C1CN(C(=O)c2cccc3ncccc23)CCCN1
InChIInChI=1S/C15H15N3O2/c19-14-10-18(9-3-8-17-14)15(20)12-4-1-6-13-11(12)5-2-7-16-13/h1-2,4-7H,3,8-10H2,(H,17,19)
InChIKeyQUKCWMKSYDXNPB-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.20
Rot. Bonds1

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

4-(quinoline-5-carbonyl)-1,4-diazepan-2-one (PubChem CID 62898516) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-(quinoline-5-carbonyl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(quinoline-5-carbonyl)-1,4-diazepan-2-one
PubChem CID62898516
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name4-(quinoline-5-carbonyl)-1,4-diazepan-2-one
SMILESO=C1CN(C(=O)c2cccc3ncccc23)CCCN1
InChIInChI=1S/C15H15N3O2/c19-14-10-18(9-3-8-17-14)15(20)12-4-1-6-13-11(12)5-2-7-16-13/h1-2,4-7H,3,8-10H2,(H,17,19)
InChIKeyQUKCWMKSYDXNPB-UHFFFAOYSA-N
XLogP1.20
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(quinoline-5-carbonyl)-1,4-diazepan-2-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

4-(quinoline-4-carbonyl)-1,4-diazepan-2-one
CID 78918249
4-(1H-indole-4-carbonyl)-1,4-diazepan-2-one
CID 65360904
4-[2-(3-aminopropoxy)-3-methoxybenzoyl]-1,4-diazepan-2-one
CID 118770092
4-(2-hydroxy-3-methoxybenzoyl)-1,4-diazepan-2-one
CID 62896513
4-(2-bromopyridine-3-carbonyl)piperazin-2-one
CID 103753853
(4-bromopiperidin-1-yl)-quinolin-5-ylmethanone
CID 80661755
[3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinolin-5-ylmethanone
CID 71934250
3,3-dimethyl-4-(quinoline-5-carbonyl)piperazin-2-one
CID 63607746
4-(2,6-dimethylbenzoyl)-1,4-diazepan-2-one
CID 113258340
4-(2,6-dichloropyridine-3-carbonyl)-1,4-diazepan-2-one
CID 106994002
4-(6-methylpyridine-3-carbonyl)-1,4-diazepan-2-one
CID 62896067
[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-quinolin-5-ylmethanone
CID 55724132

Frequently Asked Questions

What is the IUPAC name of 4-(quinoline-5-carbonyl)-1,4-diazepan-2-one?
The IUPAC name of 4-(quinoline-5-carbonyl)-1,4-diazepan-2-one (CID 62898516) is 4-(quinoline-5-carbonyl)-1,4-diazepan-2-one.
What is the SMILES notation for 4-(quinoline-5-carbonyl)-1,4-diazepan-2-one?
The canonical SMILES for 4-(quinoline-5-carbonyl)-1,4-diazepan-2-one is O=C1CN(C(=O)c2cccc3ncccc23)CCCN1.
What is the InChIKey of 4-(quinoline-5-carbonyl)-1,4-diazepan-2-one?
The InChIKey is QUKCWMKSYDXNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c19-14-10-18(9-3-8-17-14)15(20)12-4-1-6-13-11(12)5-2-7-16-13/h1-2,4-7H,3,8-10H2,(H,17,19).
What are the key properties of 4-(quinoline-5-carbonyl)-1,4-diazepan-2-one?
4-(quinoline-5-carbonyl)-1,4-diazepan-2-one has a molecular weight of 269.30 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(quinoline-5-carbonyl)-1,4-diazepan-2-one is sourced from PubChem (CID 62898516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).