2-nitro-8-(2-nitrophenyl)thieno[2,3-g]quinoline-4,9-dione

C17H7N3O6S — CID 141334324

IUPAC2-nitro-8-(2-nitrophenyl)thieno[2,3-g]quinoline-4,9-dione
SMILESO=C1c2cc([N+](=O)[O-])sc2C(=O)c2c(-c3ccccc3[N+](=O)[O-])ccnc21
InChIInChI=1S/C17H7N3O6S/c21-15-10-7-12(20(25)26)27-17(10)16(22)13-9(5-6-18-14(13)15)8-3-1-2-4-11(8)19(23)24/h1-7H
InChIKeyYVONITICCAJSOD-UHFFFAOYSA-N
MW381.33 g/mol
LogP3.40
Rot. Bonds3

About 2-nitro-8-(2-nitrophenyl)thieno[2,3-g]quinoline-4,9-dione

2-nitro-8-(2-nitrophenyl)thieno[2,3-g]quinoline-4,9-dione (PubChem CID 141334324) has the molecular formula C17H7N3O6S and a molecular weight of 381.33 g/mol. Its IUPAC name is 2-nitro-8-(2-nitrophenyl)thieno[2,3-g]quinoline-4,9-dione.

Molecular Properties

Compound Name2-nitro-8-(2-nitrophenyl)thieno[2,3-g]quinoline-4,9-dione
PubChem CID141334324
Molecular FormulaC17H7N3O6S
Molecular Weight381.33 g/mol
Exact Mass381.01
IUPAC Name2-nitro-8-(2-nitrophenyl)thieno[2,3-g]quinoline-4,9-dione
SMILESO=C1c2cc([N+](=O)[O-])sc2C(=O)c2c(-c3ccccc3[N+](=O)[O-])ccnc21
InChIInChI=1S/C17H7N3O6S/c21-15-10-7-12(20(25)26)27-17(10)16(22)13-9(5-6-18-14(13)15)8-3-1-2-4-11(8)19(23)24/h1-7H
InChIKeyYVONITICCAJSOD-UHFFFAOYSA-N
XLogP3.40
TPSA133.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.33
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

ethyl 2-nitro-4,9-dioxothieno[2,3-g]quinoline-8-carboxylate
CID 141334316
7-ethyl-2-nitrothieno[2,3-g]quinoline-4,9-dione
CID 141334323
1-(2-nitrophenyl)anthracene-9,10-dione
CID 624934
4-(2-nitrophenyl)-2-phenylpyridine
CID 102105042
7-methyl-4-nitroindeno[2,1-b]pyridin-9-one
CID 59938912
anthracene-9,10-dione;1,2-dinitrobenzene
CID 174782436
1-chloro-2-nitrobenzene;1-nitro-2-(2-nitrophenyl)benzene
CID 159796978
4,6-bis(2-nitrophenyl)-9H-pyrido[2,3-b]indole
CID 87140592
2,5-dichloro-3-(2-nitrophenyl)thiophene
CID 125484560
2-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole
CID 150456791
2-bromo-5-hydroxy-3-(2-nitrophenyl)naphthalene-1,4-dione
CID 10044911
2-(2-nitrophenyl)-6-oxa-8-azabicyclo[3.2.1]octa-1,3,5(8)-trien-7-one
CID 54422141

Frequently Asked Questions

What is the IUPAC name of 2-nitro-8-(2-nitrophenyl)thieno[2,3-g]quinoline-4,9-dione?
The IUPAC name of 2-nitro-8-(2-nitrophenyl)thieno[2,3-g]quinoline-4,9-dione (CID 141334324) is 2-nitro-8-(2-nitrophenyl)thieno[2,3-g]quinoline-4,9-dione.
What is the SMILES notation for 2-nitro-8-(2-nitrophenyl)thieno[2,3-g]quinoline-4,9-dione?
The canonical SMILES for 2-nitro-8-(2-nitrophenyl)thieno[2,3-g]quinoline-4,9-dione is O=C1c2cc([N+](=O)[O-])sc2C(=O)c2c(-c3ccccc3[N+](=O)[O-])ccnc21.
What is the InChIKey of 2-nitro-8-(2-nitrophenyl)thieno[2,3-g]quinoline-4,9-dione?
The InChIKey is YVONITICCAJSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H7N3O6S/c21-15-10-7-12(20(25)26)27-17(10)16(22)13-9(5-6-18-14(13)15)8-3-1-2-4-11(8)19(23)24/h1-7H.
What are the key properties of 2-nitro-8-(2-nitrophenyl)thieno[2,3-g]quinoline-4,9-dione?
2-nitro-8-(2-nitrophenyl)thieno[2,3-g]quinoline-4,9-dione has a molecular weight of 381.33 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-8-(2-nitrophenyl)thieno[2,3-g]quinoline-4,9-dione is sourced from PubChem (CID 141334324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).