6-nitro-7-[4-(triazol-1-yl)piperidin-1-yl]-3,4-dihydro-1H-quinolin-2-one

C16H18N6O3 — CID 133455662

IUPAC6-nitro-7-[4-(triazol-1-yl)piperidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc([N+](=O)[O-])c(N3CCC(n4ccnn4)CC3)cc2N1
InChIInChI=1S/C16H18N6O3/c23-16-2-1-11-9-15(22(24)25)14(10-13(11)18-16)20-6-3-12(4-7-20)21-8-5-17-19-21/h5,8-10,12H,1-4,6-7H2,(H,18,23)
InChIKeyCJGIRLVPJGQFJT-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.91
Rot. Bonds3

About 6-nitro-7-[4-(triazol-1-yl)piperidin-1-yl]-3,4-dihydro-1H-quinolin-2-one

6-nitro-7-[4-(triazol-1-yl)piperidin-1-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 133455662) has the molecular formula C16H18N6O3 and a molecular weight of 342.36 g/mol. Its IUPAC name is 6-nitro-7-[4-(triazol-1-yl)piperidin-1-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-nitro-7-[4-(triazol-1-yl)piperidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID133455662
Molecular FormulaC16H18N6O3
Molecular Weight342.36 g/mol
Exact Mass342.14
IUPAC Name6-nitro-7-[4-(triazol-1-yl)piperidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc([N+](=O)[O-])c(N3CCC(n4ccnn4)CC3)cc2N1
InChIInChI=1S/C16H18N6O3/c23-16-2-1-11-9-15(22(24)25)14(10-13(11)18-16)20-6-3-12(4-7-20)21-8-5-17-19-21/h5,8-10,12H,1-4,6-7H2,(H,18,23)
InChIKeyCJGIRLVPJGQFJT-UHFFFAOYSA-N
XLogP1.91
TPSA106.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-nitro-7-[4-(triazol-1-yl)piperidin-1-yl]-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
1-(4-fluoro-2-nitrophenyl)-4-(triazol-1-yl)piperidine
CID 75398503
6-nitro-7-[4-[(2-oxopiperidin-1-yl)methyl]piperidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 133326272
6-(4-acetylpiperazin-1-yl)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 10947089
6-[(3R)-3-aminopiperidin-1-yl]-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 102986194
(3S,4S)-1-(6-nitro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122064068
1-[4-nitro-3-(trifluoromethyl)phenyl]-4-(triazol-1-yl)piperidine
CID 133455677
7-methyl-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 66881586
7-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 112840612
1-(3-fluoro-5-methoxy-2-nitrophenyl)-4-(triazol-1-yl)piperidine
CID 133455633
6-[(3R)-3-aminopiperidin-1-yl]-5-nitro-1,3-dihydroindol-2-one
CID 102986412
6-[3-(methylaminomethyl)pyrrolidin-1-yl]-5-nitro-1,3-dihydroindol-2-one
CID 63267531

Frequently Asked Questions

What is the IUPAC name of 6-nitro-7-[4-(triazol-1-yl)piperidin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-nitro-7-[4-(triazol-1-yl)piperidin-1-yl]-3,4-dihydro-1H-quinolin-2-one (CID 133455662) is 6-nitro-7-[4-(triazol-1-yl)piperidin-1-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-nitro-7-[4-(triazol-1-yl)piperidin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-nitro-7-[4-(triazol-1-yl)piperidin-1-yl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc([N+](=O)[O-])c(N3CCC(n4ccnn4)CC3)cc2N1.
What is the InChIKey of 6-nitro-7-[4-(triazol-1-yl)piperidin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is CJGIRLVPJGQFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3/c23-16-2-1-11-9-15(22(24)25)14(10-13(11)18-16)20-6-3-12(4-7-20)21-8-5-17-19-21/h5,8-10,12H,1-4,6-7H2,(H,18,23).
What are the key properties of 6-nitro-7-[4-(triazol-1-yl)piperidin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
6-nitro-7-[4-(triazol-1-yl)piperidin-1-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 342.36 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-7-[4-(triazol-1-yl)piperidin-1-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 133455662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).