8-nitro-6-oxobenzo[c]quinolizine-5-carbonitrile

C14H7N3O3 — CID 4738318

IUPAC8-nitro-6-oxobenzo[c]quinolizine-5-carbonitrile
SMILESN#Cc1c(=O)c2cc([N+](=O)[O-])ccc2n2ccccc12
InChIInChI=1S/C14H7N3O3/c15-8-11-12-3-1-2-6-16(12)13-5-4-9(17(19)20)7-10(13)14(11)18/h1-7H
InChIKeyFEAKPVYVAFAMND-UHFFFAOYSA-N
MW265.23 g/mol
LogP2.23
Rot. Bonds1

About 8-nitro-6-oxobenzo[c]quinolizine-5-carbonitrile

8-nitro-6-oxobenzo[c]quinolizine-5-carbonitrile (PubChem CID 4738318) has the molecular formula C14H7N3O3 and a molecular weight of 265.23 g/mol. Its IUPAC name is 8-nitro-6-oxobenzo[c]quinolizine-5-carbonitrile.

Molecular Properties

Compound Name8-nitro-6-oxobenzo[c]quinolizine-5-carbonitrile
PubChem CID4738318
Molecular FormulaC14H7N3O3
Molecular Weight265.23 g/mol
Exact Mass265.05
IUPAC Name8-nitro-6-oxobenzo[c]quinolizine-5-carbonitrile
SMILESN#Cc1c(=O)c2cc([N+](=O)[O-])ccc2n2ccccc12
InChIInChI=1S/C14H7N3O3/c15-8-11-12-3-1-2-6-16(12)13-5-4-9(17(19)20)7-10(13)14(11)18/h1-7H
InChIKeyFEAKPVYVAFAMND-UHFFFAOYSA-N
XLogP2.23
TPSA88.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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3-nitro-9-phenylcarbazole;9-phenylcarbazole
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3-nitro-9-(4-nitrophenyl)carbazole
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1,3-dimethyl-6-nitroquinazoline-2,4-dione
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3-amino-7-nitro-1-oxo-2-[(1S)-1-phenylethyl]isoquinoline-4-carbonitrile
CID 6712478
3,6-dinitroacridine-9-carbonitrile
CID 118429042
9-benzyl-3,6-dinitrocarbazole
CID 5059102
2-methyl-6-nitro-4-oxo-1-phenylquinoline-3-carboxylic acid
CID 4143217
5-methyl-1-(4-nitrophenyl)-2-oxopyrido[3,2-b]indole-3-carbonitrile
CID 755493

Frequently Asked Questions

What is the IUPAC name of 8-nitro-6-oxobenzo[c]quinolizine-5-carbonitrile?
The IUPAC name of 8-nitro-6-oxobenzo[c]quinolizine-5-carbonitrile (CID 4738318) is 8-nitro-6-oxobenzo[c]quinolizine-5-carbonitrile.
What is the SMILES notation for 8-nitro-6-oxobenzo[c]quinolizine-5-carbonitrile?
The canonical SMILES for 8-nitro-6-oxobenzo[c]quinolizine-5-carbonitrile is N#Cc1c(=O)c2cc([N+](=O)[O-])ccc2n2ccccc12.
What is the InChIKey of 8-nitro-6-oxobenzo[c]quinolizine-5-carbonitrile?
The InChIKey is FEAKPVYVAFAMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7N3O3/c15-8-11-12-3-1-2-6-16(12)13-5-4-9(17(19)20)7-10(13)14(11)18/h1-7H.
What are the key properties of 8-nitro-6-oxobenzo[c]quinolizine-5-carbonitrile?
8-nitro-6-oxobenzo[c]quinolizine-5-carbonitrile has a molecular weight of 265.23 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitro-6-oxobenzo[c]quinolizine-5-carbonitrile is sourced from PubChem (CID 4738318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).