(2R)-2-(4-nitrophenyl)-3-oxo-1H-benzo[g]indole-2-carboxylic acid

C19H12N2O5 — CID 175571215

IUPAC(2R)-2-(4-nitrophenyl)-3-oxo-1H-benzo[g]indole-2-carboxylic acid
SMILESO=C(O)[C@]1(c2ccc([N+](=O)[O-])cc2)Nc2c(ccc3ccccc23)C1=O
InChIInChI=1S/C19H12N2O5/c22-17-15-10-5-11-3-1-2-4-14(11)16(15)20-19(17,18(23)24)12-6-8-13(9-7-12)21(25)26/h1-10,20H,(H,23,24)/t19-/m1/s1
InChIKeySQRPAKSOVLVXNA-LJQANCHMSA-N
MW348.31 g/mol
LogP3.34
Rot. Bonds3

About (2R)-2-(4-nitrophenyl)-3-oxo-1H-benzo[g]indole-2-carboxylic acid

(2R)-2-(4-nitrophenyl)-3-oxo-1H-benzo[g]indole-2-carboxylic acid (PubChem CID 175571215) has the molecular formula C19H12N2O5 and a molecular weight of 348.31 g/mol. Its IUPAC name is (2R)-2-(4-nitrophenyl)-3-oxo-1H-benzo[g]indole-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-(4-nitrophenyl)-3-oxo-1H-benzo[g]indole-2-carboxylic acid
PubChem CID175571215
Molecular FormulaC19H12N2O5
Molecular Weight348.31 g/mol
Exact Mass348.07
IUPAC Name(2R)-2-(4-nitrophenyl)-3-oxo-1H-benzo[g]indole-2-carboxylic acid
SMILESO=C(O)[C@]1(c2ccc([N+](=O)[O-])cc2)Nc2c(ccc3ccccc23)C1=O
InChIInChI=1S/C19H12N2O5/c22-17-15-10-5-11-3-1-2-4-14(11)16(15)20-19(17,18(23)24)12-6-8-13(9-7-12)21(25)26/h1-10,20H,(H,23,24)/t19-/m1/s1
InChIKeySQRPAKSOVLVXNA-LJQANCHMSA-N
XLogP3.34
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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

(2R)-3-oxo-2-phenyl-1H-benzo[g]indole-2-carboxylic acid
CID 175571239
ethyl (2R)-2-(4-nitrophenyl)-3-oxo-1H-benzo[g]indole-2-carboxylate
CID 171482574
1-(4-nitrophenyl)phenanthren-4-amine
CID 174932907
naphthalen-2-ol;nitrobenzene
CID 163774452
1-hydroxy-N-(4-nitrophenyl)naphthalene-2-carboxamide
CID 3352872
2-[(4-nitrophenyl)iminomethyl]naphthalen-1-ol
CID 135885630
1-(4-nitrophenyl)-2-phenylcyclopropane-1-carboxylic acid
CID 14787788
carbonic acid;nitrobenzene
CID 68662598
carbonic acid;nitrobenzene
CID 158100196
naphthalen-2-ol;4-nitroaniline
CID 160761253
acetic acid;1-nitronaphthalen-2-amine
CID 22097140
2-(1-carbamoylnaphthalen-2-yl)-4-nitrobenzoic acid
CID 70189647

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-nitrophenyl)-3-oxo-1H-benzo[g]indole-2-carboxylic acid?
The IUPAC name of (2R)-2-(4-nitrophenyl)-3-oxo-1H-benzo[g]indole-2-carboxylic acid (CID 175571215) is (2R)-2-(4-nitrophenyl)-3-oxo-1H-benzo[g]indole-2-carboxylic acid.
What is the SMILES notation for (2R)-2-(4-nitrophenyl)-3-oxo-1H-benzo[g]indole-2-carboxylic acid?
The canonical SMILES for (2R)-2-(4-nitrophenyl)-3-oxo-1H-benzo[g]indole-2-carboxylic acid is O=C(O)[C@]1(c2ccc([N+](=O)[O-])cc2)Nc2c(ccc3ccccc23)C1=O.
What is the InChIKey of (2R)-2-(4-nitrophenyl)-3-oxo-1H-benzo[g]indole-2-carboxylic acid?
The InChIKey is SQRPAKSOVLVXNA-LJQANCHMSA-N. The full InChI is InChI=1S/C19H12N2O5/c22-17-15-10-5-11-3-1-2-4-14(11)16(15)20-19(17,18(23)24)12-6-8-13(9-7-12)21(25)26/h1-10,20H,(H,23,24)/t19-/m1/s1.
What are the key properties of (2R)-2-(4-nitrophenyl)-3-oxo-1H-benzo[g]indole-2-carboxylic acid?
(2R)-2-(4-nitrophenyl)-3-oxo-1H-benzo[g]indole-2-carboxylic acid has a molecular weight of 348.31 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-nitrophenyl)-3-oxo-1H-benzo[g]indole-2-carboxylic acid is sourced from PubChem (CID 175571215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).