2-(2-hydroxyphenyl)-6-nitrobenzo[de]isoquinoline-1,3-dione

C18H10N2O5 — CID 898212

IUPAC2-(2-hydroxyphenyl)-6-nitrobenzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccccc1O
InChIInChI=1S/C18H10N2O5/c21-15-7-2-1-6-14(15)19-17(22)11-5-3-4-10-13(20(24)25)9-8-12(16(10)11)18(19)23/h1-9,21H
InChIKeyMHNUJISEUGNKAV-UHFFFAOYSA-N
MW334.29 g/mol
LogP3.25
Rot. Bonds2

About 2-(2-hydroxyphenyl)-6-nitrobenzo[de]isoquinoline-1,3-dione

2-(2-hydroxyphenyl)-6-nitrobenzo[de]isoquinoline-1,3-dione (PubChem CID 898212) has the molecular formula C18H10N2O5 and a molecular weight of 334.29 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-6-nitrobenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-6-nitrobenzo[de]isoquinoline-1,3-dione
PubChem CID898212
Molecular FormulaC18H10N2O5
Molecular Weight334.29 g/mol
Exact Mass334.06
IUPAC Name2-(2-hydroxyphenyl)-6-nitrobenzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccccc1O
InChIInChI=1S/C18H10N2O5/c21-15-7-2-1-6-14(15)19-17(22)11-5-3-4-10-13(20(24)25)9-8-12(16(10)11)18(19)23/h1-9,21H
InChIKeyMHNUJISEUGNKAV-UHFFFAOYSA-N
XLogP3.25
TPSA100.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 53.25
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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-6-nitrobenzo[de]isoquinoline-1,3-dione
CID 819865
6-nitro-1-phenylbenzo[cd]indol-2-one
CID 2841208
2-(4-aminophenyl)-6-nitrobenzo[de]isoquinoline-1,3-dione
CID 2396436
2-(4-acetylphenyl)-6-nitrobenzo[de]isoquinoline-1,3-dione
CID 1078660
2-methoxy-6-nitrobenzo[de]isoquinoline-1,3-dione
CID 59172799
7,18-bis(2-hydroxyphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 153390185
2-(3,4-dichlorophenyl)-6-nitrobenzo[de]isoquinoline-1,3-dione
CID 86279524
3-nitrobenzo[b]phenalen-7-one
CID 2825690
2-(5-methyl-1,3,4-thiadiazol-2-yl)-6-nitrobenzo[de]isoquinoline-1,3-dione
CID 548037
6-nitro-2-(1,3,5-trimethylpyrazol-4-yl)benzo[de]isoquinoline-1,3-dione
CID 1142443
2-[(2,4-dihydroxyphenyl)methylideneamino]-6-nitrobenzo[de]isoquinoline-1,3-dione
CID 4676222
16-(2,5-ditert-butylphenyl)-5-nitro-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-15,17-dione
CID 19033230

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-6-nitrobenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-(2-hydroxyphenyl)-6-nitrobenzo[de]isoquinoline-1,3-dione (CID 898212) is 2-(2-hydroxyphenyl)-6-nitrobenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-(2-hydroxyphenyl)-6-nitrobenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-(2-hydroxyphenyl)-6-nitrobenzo[de]isoquinoline-1,3-dione is O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccccc1O.
What is the InChIKey of 2-(2-hydroxyphenyl)-6-nitrobenzo[de]isoquinoline-1,3-dione?
The InChIKey is MHNUJISEUGNKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N2O5/c21-15-7-2-1-6-14(15)19-17(22)11-5-3-4-10-13(20(24)25)9-8-12(16(10)11)18(19)23/h1-9,21H.
What are the key properties of 2-(2-hydroxyphenyl)-6-nitrobenzo[de]isoquinoline-1,3-dione?
2-(2-hydroxyphenyl)-6-nitrobenzo[de]isoquinoline-1,3-dione has a molecular weight of 334.29 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-6-nitrobenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 898212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).