3-(4-acetyl-6-hydroxy-1,4-diazepane-1-carbonyl)-1H-quinolin-2-one

C17H19N3O4 — CID 74230460

IUPAC3-(4-acetyl-6-hydroxy-1,4-diazepane-1-carbonyl)-1H-quinolin-2-one
SMILESCC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]c2=O)CC(O)C1
InChIInChI=1S/C17H19N3O4/c1-11(21)19-6-7-20(10-13(22)9-19)17(24)14-8-12-4-2-3-5-15(12)18-16(14)23/h2-5,8,13,22H,6-7,9-10H2,1H3,(H,18,23)
InChIKeyHEWFBCXWXUUUNY-UHFFFAOYSA-N
MW329.36 g/mol
LogP0.19
Rot. Bonds1

About 3-(4-acetyl-6-hydroxy-1,4-diazepane-1-carbonyl)-1H-quinolin-2-one

3-(4-acetyl-6-hydroxy-1,4-diazepane-1-carbonyl)-1H-quinolin-2-one (PubChem CID 74230460) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-(4-acetyl-6-hydroxy-1,4-diazepane-1-carbonyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(4-acetyl-6-hydroxy-1,4-diazepane-1-carbonyl)-1H-quinolin-2-one
PubChem CID74230460
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name3-(4-acetyl-6-hydroxy-1,4-diazepane-1-carbonyl)-1H-quinolin-2-one
SMILESCC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]c2=O)CC(O)C1
InChIInChI=1S/C17H19N3O4/c1-11(21)19-6-7-20(10-13(22)9-19)17(24)14-8-12-4-2-3-5-15(12)18-16(14)23/h2-5,8,13,22H,6-7,9-10H2,1H3,(H,18,23)
InChIKeyHEWFBCXWXUUUNY-UHFFFAOYSA-N
XLogP0.19
TPSA93.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-acetyl-6-hydroxy-1,4-diazepane-1-carbonyl)-1H-quinolin-2-one?
The IUPAC name of 3-(4-acetyl-6-hydroxy-1,4-diazepane-1-carbonyl)-1H-quinolin-2-one (CID 74230460) is 3-(4-acetyl-6-hydroxy-1,4-diazepane-1-carbonyl)-1H-quinolin-2-one.
What is the SMILES notation for 3-(4-acetyl-6-hydroxy-1,4-diazepane-1-carbonyl)-1H-quinolin-2-one?
The canonical SMILES for 3-(4-acetyl-6-hydroxy-1,4-diazepane-1-carbonyl)-1H-quinolin-2-one is CC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]c2=O)CC(O)C1.
What is the InChIKey of 3-(4-acetyl-6-hydroxy-1,4-diazepane-1-carbonyl)-1H-quinolin-2-one?
The InChIKey is HEWFBCXWXUUUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-11(21)19-6-7-20(10-13(22)9-19)17(24)14-8-12-4-2-3-5-15(12)18-16(14)23/h2-5,8,13,22H,6-7,9-10H2,1H3,(H,18,23).
What are the key properties of 3-(4-acetyl-6-hydroxy-1,4-diazepane-1-carbonyl)-1H-quinolin-2-one?
3-(4-acetyl-6-hydroxy-1,4-diazepane-1-carbonyl)-1H-quinolin-2-one has a molecular weight of 329.36 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetyl-6-hydroxy-1,4-diazepane-1-carbonyl)-1H-quinolin-2-one is sourced from PubChem (CID 74230460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).