5-(2-nitrobenzoyl)-7,8-dihydro-6H-pyrido[3,2-b]indol-9-one

C18H13N3O4 — CID 117071566

IUPAC5-(2-nitrobenzoyl)-7,8-dihydro-6H-pyrido[3,2-b]indol-9-one
SMILESO=C1CCCc2c1c1ncccc1n2C(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H13N3O4/c22-15-9-3-7-13-16(15)17-14(8-4-10-19-17)20(13)18(23)11-5-1-2-6-12(11)21(24)25/h1-2,4-6,8,10H,3,7,9H2
InChIKeySGRNRWWREVGDJV-UHFFFAOYSA-N
MW335.32 g/mol
LogP3.15
Rot. Bonds2

About 5-(2-nitrobenzoyl)-7,8-dihydro-6H-pyrido[3,2-b]indol-9-one

5-(2-nitrobenzoyl)-7,8-dihydro-6H-pyrido[3,2-b]indol-9-one (PubChem CID 117071566) has the molecular formula C18H13N3O4 and a molecular weight of 335.32 g/mol. Its IUPAC name is 5-(2-nitrobenzoyl)-7,8-dihydro-6H-pyrido[3,2-b]indol-9-one.

Molecular Properties

Compound Name5-(2-nitrobenzoyl)-7,8-dihydro-6H-pyrido[3,2-b]indol-9-one
PubChem CID117071566
Molecular FormulaC18H13N3O4
Molecular Weight335.32 g/mol
Exact Mass335.09
IUPAC Name5-(2-nitrobenzoyl)-7,8-dihydro-6H-pyrido[3,2-b]indol-9-one
SMILESO=C1CCCc2c1c1ncccc1n2C(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H13N3O4/c22-15-9-3-7-13-16(15)17-14(8-4-10-19-17)20(13)18(23)11-5-1-2-6-12(11)21(24)25/h1-2,4-6,8,10H,3,7,9H2
InChIKeySGRNRWWREVGDJV-UHFFFAOYSA-N
XLogP3.15
TPSA95.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-nitrobenzoyl)piperidine-2,6-dione
CID 11108124
1-(2-nitrobenzoyl)piperidin-4-one
CID 24694101
(2-nitrophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 16546256
bis(2-nitrobenzoic acid);pyrimidin-2-amine
CID 87271510
octakis((Z)-(2-nitrophenyl)-(2-oxocyclopentylidene)methanolate);tetrakis(terbium(3+));tetrahydroxide
CID 139157317
2-amino-1-(2-nitrophenyl)-7,8-dihydro-6H-quinoline-4,5-dione
CID 141472511
(3,4-dihydroxypyrrolidin-1-yl)-(2-nitrophenyl)methanone
CID 106671114
[4-(3-nitro-2-pyridinyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 55626636
(3-oxocyclohexen-1-yl) 2-nitrobenzoate
CID 11021637
N-(5-bromoquinolin-8-yl)-2-nitrobenzamide
CID 1332037
[4-(2-nitrophenyl)piperazin-1-yl]-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 26782974
5-amino-2-(2-nitrobenzoyl)-1,2,4-thiadiazol-3-one
CID 10754201

Frequently Asked Questions

What is the IUPAC name of 5-(2-nitrobenzoyl)-7,8-dihydro-6H-pyrido[3,2-b]indol-9-one?
The IUPAC name of 5-(2-nitrobenzoyl)-7,8-dihydro-6H-pyrido[3,2-b]indol-9-one (CID 117071566) is 5-(2-nitrobenzoyl)-7,8-dihydro-6H-pyrido[3,2-b]indol-9-one.
What is the SMILES notation for 5-(2-nitrobenzoyl)-7,8-dihydro-6H-pyrido[3,2-b]indol-9-one?
The canonical SMILES for 5-(2-nitrobenzoyl)-7,8-dihydro-6H-pyrido[3,2-b]indol-9-one is O=C1CCCc2c1c1ncccc1n2C(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 5-(2-nitrobenzoyl)-7,8-dihydro-6H-pyrido[3,2-b]indol-9-one?
The InChIKey is SGRNRWWREVGDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O4/c22-15-9-3-7-13-16(15)17-14(8-4-10-19-17)20(13)18(23)11-5-1-2-6-12(11)21(24)25/h1-2,4-6,8,10H,3,7,9H2.
What are the key properties of 5-(2-nitrobenzoyl)-7,8-dihydro-6H-pyrido[3,2-b]indol-9-one?
5-(2-nitrobenzoyl)-7,8-dihydro-6H-pyrido[3,2-b]indol-9-one has a molecular weight of 335.32 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-nitrobenzoyl)-7,8-dihydro-6H-pyrido[3,2-b]indol-9-one is sourced from PubChem (CID 117071566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).