9-(3-nitrophenyl)-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-one

C17H13N3O3 — CID 14423208

IUPAC9-(3-nitrophenyl)-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-one
SMILESO=c1c2c(n(-c3cccc([N+](=O)[O-])c3)c3ncccc13)CCC2
InChIInChI=1S/C17H13N3O3/c21-16-13-6-2-8-15(13)19(17-14(16)7-3-9-18-17)11-4-1-5-12(10-11)20(22)23/h1,3-5,7,9-10H,2,6,8H2
InChIKeyQBFDFEHHCDZNPW-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.78
Rot. Bonds2

About 9-(3-nitrophenyl)-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-one

9-(3-nitrophenyl)-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-one (PubChem CID 14423208) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 9-(3-nitrophenyl)-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-one.

Molecular Properties

Compound Name9-(3-nitrophenyl)-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-one
PubChem CID14423208
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name9-(3-nitrophenyl)-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-one
SMILESO=c1c2c(n(-c3cccc([N+](=O)[O-])c3)c3ncccc13)CCC2
InChIInChI=1S/C17H13N3O3/c21-16-13-6-2-8-15(13)19(17-14(16)7-3-9-18-17)11-4-1-5-12(10-11)20(22)23/h1,3-5,7,9-10H,2,6,8H2
InChIKeyQBFDFEHHCDZNPW-UHFFFAOYSA-N
XLogP2.78
TPSA78.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.78
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'}

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Related Compounds

7-methyl-10-(3-nitrophenyl)-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridin-5-one
CID 14423232
2-(3-nitrophenyl)-2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),9,11-tetraen-8-one
CID 14423223
1-(3-nitrophenyl)-3-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 12764179
9-phenyl-5,6,7,8-tetrahydropyrido[2,3-b]indole
CID 11172700
2-(3-chlorophenyl)-2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),9,11-tetraen-8-one
CID 14423221
2-(3-nitrophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
CID 65348974
2,6-bis(3-nitrophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 635208
6-(3-nitrophenyl)pyrrolo[3,4-b]pyrazine-5,7-dione
CID 154155220
9-[3,5-bis(3,5-diphenylphenyl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole
CID 58663528
N-(2,6-dichlorophenyl)-1-(3-nitrophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 70011543
2-benzyl-4-(3-nitrophenyl)pyrido[2,3-b]pyrazin-3-one
CID 22724113
1-(3-nitrophenyl)-3-(3-pyridin-2-ylpropyl)-1,8-naphthyridin-2-one
CID 18002620

Frequently Asked Questions

What is the IUPAC name of 9-(3-nitrophenyl)-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-one?
The IUPAC name of 9-(3-nitrophenyl)-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-one (CID 14423208) is 9-(3-nitrophenyl)-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-one.
What is the SMILES notation for 9-(3-nitrophenyl)-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-one?
The canonical SMILES for 9-(3-nitrophenyl)-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-one is O=c1c2c(n(-c3cccc([N+](=O)[O-])c3)c3ncccc13)CCC2.
What is the InChIKey of 9-(3-nitrophenyl)-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-one?
The InChIKey is QBFDFEHHCDZNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c21-16-13-6-2-8-15(13)19(17-14(16)7-3-9-18-17)11-4-1-5-12(10-11)20(22)23/h1,3-5,7,9-10H,2,6,8H2.
What are the key properties of 9-(3-nitrophenyl)-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-one?
9-(3-nitrophenyl)-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-one has a molecular weight of 307.31 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-nitrophenyl)-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-one is sourced from PubChem (CID 14423208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).