4-methoxy-9-nitropyrido[2,3-g]quinoline-5,10-dione

C13H7N3O5 — CID 142655224

IUPAC4-methoxy-9-nitropyrido[2,3-g]quinoline-5,10-dione
SMILESCOc1ccnc2c1C(=O)c1nccc([N+](=O)[O-])c1C2=O
InChIInChI=1S/C13H7N3O5/c1-21-7-3-5-15-11-9(7)13(18)10-8(12(11)17)6(16(19)20)2-4-14-10/h2-5H,1H3
InChIKeyPLRJZGILEWFGPB-UHFFFAOYSA-N
MW285.22 g/mol
LogP1.17
Rot. Bonds2

About 4-methoxy-9-nitropyrido[2,3-g]quinoline-5,10-dione

4-methoxy-9-nitropyrido[2,3-g]quinoline-5,10-dione (PubChem CID 142655224) has the molecular formula C13H7N3O5 and a molecular weight of 285.22 g/mol. Its IUPAC name is 4-methoxy-9-nitropyrido[2,3-g]quinoline-5,10-dione.

Molecular Properties

Compound Name4-methoxy-9-nitropyrido[2,3-g]quinoline-5,10-dione
PubChem CID142655224
Molecular FormulaC13H7N3O5
Molecular Weight285.22 g/mol
Exact Mass285.04
IUPAC Name4-methoxy-9-nitropyrido[2,3-g]quinoline-5,10-dione
SMILESCOc1ccnc2c1C(=O)c1nccc([N+](=O)[O-])c1C2=O
InChIInChI=1S/C13H7N3O5/c1-21-7-3-5-15-11-9(7)13(18)10-8(12(11)17)6(16(19)20)2-4-14-10/h2-5H,1H3
InChIKeyPLRJZGILEWFGPB-UHFFFAOYSA-N
XLogP1.17
TPSA112.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-9-methylpyrido[2,3-g]quinoline-5,10-dione
CID 11054197
1,5-dimethoxy-4,8-dinitroanthracene-9,10-dione
CID 21413446
7-methyl-4-nitroindeno[2,1-b]pyridin-9-one
CID 59938912
3,6-dimethoxy-4-methylpyrido[3,2-g]quinoline-5,10-dione
CID 10869817
methoxymethane;4-methoxy-3-nitropyridine
CID 155689380
6,7-dimethoxy-1-(2-nitrophenyl)isoquinoline
CID 10781241
4-methoxy-2-methyl-3-nitropyridine;4-methoxy-2-methyl-5-nitropyridine
CID 161112123
4-chloro-5-methoxy-8-nitroquinoline
CID 19592414
11-methoxy-12-nitro-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one
CID 50908785
3-methoxy-2-nitropyridine
CID 556063
1-chloro-5,6-dimethoxy-8-nitroisoquinoline
CID 82571494
2-(2-methoxy-6-nitrophenyl)ethynyl-trimethylsilane
CID 165354100

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-9-nitropyrido[2,3-g]quinoline-5,10-dione?
The IUPAC name of 4-methoxy-9-nitropyrido[2,3-g]quinoline-5,10-dione (CID 142655224) is 4-methoxy-9-nitropyrido[2,3-g]quinoline-5,10-dione.
What is the SMILES notation for 4-methoxy-9-nitropyrido[2,3-g]quinoline-5,10-dione?
The canonical SMILES for 4-methoxy-9-nitropyrido[2,3-g]quinoline-5,10-dione is COc1ccnc2c1C(=O)c1nccc([N+](=O)[O-])c1C2=O.
What is the InChIKey of 4-methoxy-9-nitropyrido[2,3-g]quinoline-5,10-dione?
The InChIKey is PLRJZGILEWFGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7N3O5/c1-21-7-3-5-15-11-9(7)13(18)10-8(12(11)17)6(16(19)20)2-4-14-10/h2-5H,1H3.
What are the key properties of 4-methoxy-9-nitropyrido[2,3-g]quinoline-5,10-dione?
4-methoxy-9-nitropyrido[2,3-g]quinoline-5,10-dione has a molecular weight of 285.22 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-9-nitropyrido[2,3-g]quinoline-5,10-dione is sourced from PubChem (CID 142655224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).