10-(4-nitrophenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione

C22H16N2O4 — CID 4748510

IUPAC10-(4-nitrophenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
SMILESO=C1CCCC2=C1C(c1ccc([N+](=O)[O-])cc1)C1=C(N2)c2ccccc2C1=O
InChIInChI=1S/C22H16N2O4/c25-17-7-3-6-16-19(17)18(12-8-10-13(11-9-12)24(27)28)20-21(23-16)14-4-1-2-5-15(14)22(20)26/h1-2,4-5,8-11,18,23H,3,6-7H2
InChIKeyNEZCPCJFQLUVCA-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.90
Rot. Bonds2

About 10-(4-nitrophenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione

10-(4-nitrophenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione (PubChem CID 4748510) has the molecular formula C22H16N2O4 and a molecular weight of 372.38 g/mol. Its IUPAC name is 10-(4-nitrophenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione.

Molecular Properties

Compound Name10-(4-nitrophenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
PubChem CID4748510
Molecular FormulaC22H16N2O4
Molecular Weight372.38 g/mol
Exact Mass372.11
IUPAC Name10-(4-nitrophenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
SMILESO=C1CCCC2=C1C(c1ccc([N+](=O)[O-])cc1)C1=C(N2)c2ccccc2C1=O
InChIInChI=1S/C22H16N2O4/c25-17-7-3-6-16-19(17)18(12-8-10-13(11-9-12)24(27)28)20-21(23-16)14-4-1-2-5-15(14)22(20)26/h1-2,4-5,8-11,18,23H,3,6-7H2
InChIKeyNEZCPCJFQLUVCA-UHFFFAOYSA-N
XLogP3.90
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
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

13-Nitro-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-8-one
CID 25190929
14-Nitro-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-8-one
CID 25190930
6-(3-Aminopropyl)-3-nitroindeno[1,2-c]isoquinoline-5,11-dione
CID 17756086
5,11-dioxo-11H-indeno[1,2-c]isoquinoline
CID 44409874
2,3-dihydroxy-7-nitro-1-oxo-N-phenyl-isoquinoline-4-carboxamide
CID 136056614
3,3,6,6-Tetramethyl-9-(4-nitrophenyl)-2,4,5,7,9,10-hexahydroacridine-1,8-dione
CID 376365
4-(p-Toluidino)-3-isopropylnaphthalene-1,2-dione
CID 44409922
3-(3-nitroanilino)-2-phenyl-1H-inden-1-one
CID 3317883
3-(4-nitroanilino)-2-phenyl-1H-inden-1-one
CID 3523976
3-nitro-2-methyl-4-phenyl-1,4-dihydro-5H-indeno[1,2-b]pyridin-5-one
CID 3554733
6-(3-Aminopropyl)-9-methyl-3-nitroindeno[1,2-c]isoquinoline-5,11-dione
CID 17755119
6-(3-Aminopropyl)-3-nitro-9-phenylindeno[1,2-c]isoquinoline-5,11-dione
CID 17755121

Frequently Asked Questions

What is the IUPAC name of 10-(4-nitrophenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione?
The IUPAC name of 10-(4-nitrophenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione (CID 4748510) is 10-(4-nitrophenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione.
What is the SMILES notation for 10-(4-nitrophenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione?
The canonical SMILES for 10-(4-nitrophenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione is O=C1CCCC2=C1C(c1ccc([N+](=O)[O-])cc1)C1=C(N2)c2ccccc2C1=O.
What is the InChIKey of 10-(4-nitrophenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione?
The InChIKey is NEZCPCJFQLUVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O4/c25-17-7-3-6-16-19(17)18(12-8-10-13(11-9-12)24(27)28)20-21(23-16)14-4-1-2-5-15(14)22(20)26/h1-2,4-5,8-11,18,23H,3,6-7H2.
What are the key properties of 10-(4-nitrophenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione?
10-(4-nitrophenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione has a molecular weight of 372.38 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-nitrophenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione is sourced from PubChem (CID 4748510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).