6-(4-acetylpiperazin-1-yl)-7-nitro-3,4-dihydro-1H-quinolin-2-one

C15H18N4O4 — CID 10947089

IUPAC6-(4-acetylpiperazin-1-yl)-7-nitro-3,4-dihydro-1H-quinolin-2-one
SMILESCC(=O)N1CCN(c2cc3c(cc2[N+](=O)[O-])NC(=O)CC3)CC1
InChIInChI=1S/C15H18N4O4/c1-10(20)17-4-6-18(7-5-17)13-8-11-2-3-15(21)16-12(11)9-14(13)19(22)23/h8-9H,2-7H2,1H3,(H,16,21)
InChIKeyZSDKWBTXIVOKJD-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.15
Rot. Bonds2

About 6-(4-acetylpiperazin-1-yl)-7-nitro-3,4-dihydro-1H-quinolin-2-one

6-(4-acetylpiperazin-1-yl)-7-nitro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 10947089) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is 6-(4-acetylpiperazin-1-yl)-7-nitro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(4-acetylpiperazin-1-yl)-7-nitro-3,4-dihydro-1H-quinolin-2-one
PubChem CID10947089
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Name6-(4-acetylpiperazin-1-yl)-7-nitro-3,4-dihydro-1H-quinolin-2-one
SMILESCC(=O)N1CCN(c2cc3c(cc2[N+](=O)[O-])NC(=O)CC3)CC1
InChIInChI=1S/C15H18N4O4/c1-10(20)17-4-6-18(7-5-17)13-8-11-2-3-15(21)16-12(11)9-14(13)19(22)23/h8-9H,2-7H2,1H3,(H,16,21)
InChIKeyZSDKWBTXIVOKJD-UHFFFAOYSA-N
XLogP1.15
TPSA95.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-(4-acetylpiperazin-1-yl)-7-nitro-3,4-dihydro-1H-quinolin-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

6-(4-aminopiperidin-1-yl)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 43556906
6-[(3R)-3-aminopiperidin-1-yl]-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 102986194
6-nitro-7-[4-(triazol-1-yl)piperidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 133455662
7-methyl-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 66881586
(3S,4S)-1-(6-nitro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122064068
7-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 112840612
6-nitro-7-[4-[(2-oxopiperidin-1-yl)methyl]piperidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 133326272
6-(ethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 43449821
4-(4-acetylpiperazin-1-yl)-3-nitrobenzaldehyde
CID 4742293
1-[4-[4-(aminomethyl)-2-nitrophenyl]piperazin-1-yl]ethanone
CID 98021669
1-[4-(4-fluoro-2-nitrophenyl)piperazin-1-yl]ethanone;1-piperazin-1-ylethanone
CID 159833793
7-[(2-hydroxy-2-methylpropyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 115618366

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylpiperazin-1-yl)-7-nitro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(4-acetylpiperazin-1-yl)-7-nitro-3,4-dihydro-1H-quinolin-2-one (CID 10947089) is 6-(4-acetylpiperazin-1-yl)-7-nitro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(4-acetylpiperazin-1-yl)-7-nitro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(4-acetylpiperazin-1-yl)-7-nitro-3,4-dihydro-1H-quinolin-2-one is CC(=O)N1CCN(c2cc3c(cc2[N+](=O)[O-])NC(=O)CC3)CC1.
What is the InChIKey of 6-(4-acetylpiperazin-1-yl)-7-nitro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ZSDKWBTXIVOKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4/c1-10(20)17-4-6-18(7-5-17)13-8-11-2-3-15(21)16-12(11)9-14(13)19(22)23/h8-9H,2-7H2,1H3,(H,16,21).
What are the key properties of 6-(4-acetylpiperazin-1-yl)-7-nitro-3,4-dihydro-1H-quinolin-2-one?
6-(4-acetylpiperazin-1-yl)-7-nitro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 318.33 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylpiperazin-1-yl)-7-nitro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 10947089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).