16-methyl-17-nitro-9-azatetracyclo[13.4.0.02,7.09,13]nonadeca-1(15),2,4,6,10,12,16,18-octaene

C19H16N2O2 — CID 134849182

IUPAC16-methyl-17-nitro-9-azatetracyclo[13.4.0.02,7.09,13]nonadeca-1(15),2,4,6,10,12,16,18-octaene
SMILESCc1c([N+](=O)[O-])ccc2c1Cc1cccn1Cc1ccccc1-2
InChIInChI=1S/C19H16N2O2/c1-13-18-11-15-6-4-10-20(15)12-14-5-2-3-7-16(14)17(18)8-9-19(13)21(22)23/h2-10H,11-12H2,1H3
InChIKeyKXYAEIAZKFIETA-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.32
Rot. Bonds1

About 16-methyl-17-nitro-9-azatetracyclo[13.4.0.02,7.09,13]nonadeca-1(15),2,4,6,10,12,16,18-octaene

16-methyl-17-nitro-9-azatetracyclo[13.4.0.02,7.09,13]nonadeca-1(15),2,4,6,10,12,16,18-octaene (PubChem CID 134849182) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 16-methyl-17-nitro-9-azatetracyclo[13.4.0.02,7.09,13]nonadeca-1(15),2,4,6,10,12,16,18-octaene.

Molecular Properties

Compound Name16-methyl-17-nitro-9-azatetracyclo[13.4.0.02,7.09,13]nonadeca-1(15),2,4,6,10,12,16,18-octaene
PubChem CID134849182
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name16-methyl-17-nitro-9-azatetracyclo[13.4.0.02,7.09,13]nonadeca-1(15),2,4,6,10,12,16,18-octaene
SMILESCc1c([N+](=O)[O-])ccc2c1Cc1cccn1Cc1ccccc1-2
InChIInChI=1S/C19H16N2O2/c1-13-18-11-15-6-4-10-20(15)12-14-5-2-3-7-16(14)17(18)8-9-19(13)21(22)23/h2-10H,11-12H2,1H3
InChIKeyKXYAEIAZKFIETA-UHFFFAOYSA-N
XLogP4.32
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 16-methyl-17-nitro-9-azatetracyclo[13.4.0.02,7.09,13]nonadeca-1(15),2,4,6,10,12,16,18-octaene 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

10-methyl-9-nitro-5,6-dihydropyrrolo[2,1-a]isoquinoline
CID 102187274
6,14-dimethyl-5,13-dinitro-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
CID 25228201
2-methoxy-1-nitro-9H-fluorene
CID 159208657
9H-fluorene;oxozirconium
CID 174355249
4,4,5,5-tetramethyl-2-(4-nitro-9H-fluoren-1-yl)-1,3,2-dioxaborolane
CID 58757165
27-nitrooctacyclo[20.7.1.02,21.03,11.04,9.012,20.013,18.026,30]triaconta-1(30),2,4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene
CID 177480209
1-nitro-9H-indeno[2,1-c]pyridine
CID 154332793
1-(2-methylphenyl)-2,3,4-trinitrobenzene
CID 141268177
2-methoxy-4-nitro-1,3-dihydroisoindole;hydrochloride
CID 67553405
2-(2-methyl-3-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 35288166
9H-fluorene;9-methyltetracyclo[6.5.0.04,12.05,10]trideca-1(13),2,4(12),5(10),6,8-hexaene
CID 173160450
6,11-dihydrobenzo[c][1]benzazepin-5-yl-(3-methyl-4-nitrophenyl)methanone
CID 54506243

Frequently Asked Questions

What is the IUPAC name of 16-methyl-17-nitro-9-azatetracyclo[13.4.0.02,7.09,13]nonadeca-1(15),2,4,6,10,12,16,18-octaene?
The IUPAC name of 16-methyl-17-nitro-9-azatetracyclo[13.4.0.02,7.09,13]nonadeca-1(15),2,4,6,10,12,16,18-octaene (CID 134849182) is 16-methyl-17-nitro-9-azatetracyclo[13.4.0.02,7.09,13]nonadeca-1(15),2,4,6,10,12,16,18-octaene.
What is the SMILES notation for 16-methyl-17-nitro-9-azatetracyclo[13.4.0.02,7.09,13]nonadeca-1(15),2,4,6,10,12,16,18-octaene?
The canonical SMILES for 16-methyl-17-nitro-9-azatetracyclo[13.4.0.02,7.09,13]nonadeca-1(15),2,4,6,10,12,16,18-octaene is Cc1c([N+](=O)[O-])ccc2c1Cc1cccn1Cc1ccccc1-2.
What is the InChIKey of 16-methyl-17-nitro-9-azatetracyclo[13.4.0.02,7.09,13]nonadeca-1(15),2,4,6,10,12,16,18-octaene?
The InChIKey is KXYAEIAZKFIETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-13-18-11-15-6-4-10-20(15)12-14-5-2-3-7-16(14)17(18)8-9-19(13)21(22)23/h2-10H,11-12H2,1H3.
What are the key properties of 16-methyl-17-nitro-9-azatetracyclo[13.4.0.02,7.09,13]nonadeca-1(15),2,4,6,10,12,16,18-octaene?
16-methyl-17-nitro-9-azatetracyclo[13.4.0.02,7.09,13]nonadeca-1(15),2,4,6,10,12,16,18-octaene has a molecular weight of 304.35 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-methyl-17-nitro-9-azatetracyclo[13.4.0.02,7.09,13]nonadeca-1(15),2,4,6,10,12,16,18-octaene is sourced from PubChem (CID 134849182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).