2-(4-nitronaphthalen-1-yl)-1H-imidazo[4,5-g]quinoline

C20H12N4O2 — CID 57394719

IUPAC2-(4-nitronaphthalen-1-yl)-1H-imidazo[4,5-g]quinoline
SMILESO=[N+]([O-])c1ccc(-c2nc3cc4ncccc4cc3[nH]2)c2ccccc12
InChIInChI=1S/C20H12N4O2/c25-24(26)19-8-7-15(13-5-1-2-6-14(13)19)20-22-17-10-12-4-3-9-21-16(12)11-18(17)23-20/h1-11H,(H,22,23)
InChIKeyPTQNRTGOLOBXAE-UHFFFAOYSA-N
MW340.34 g/mol
LogP4.84
Rot. Bonds2

About 2-(4-nitronaphthalen-1-yl)-1H-imidazo[4,5-g]quinoline

2-(4-nitronaphthalen-1-yl)-1H-imidazo[4,5-g]quinoline (PubChem CID 57394719) has the molecular formula C20H12N4O2 and a molecular weight of 340.34 g/mol. Its IUPAC name is 2-(4-nitronaphthalen-1-yl)-1H-imidazo[4,5-g]quinoline.

Molecular Properties

Compound Name2-(4-nitronaphthalen-1-yl)-1H-imidazo[4,5-g]quinoline
PubChem CID57394719
Molecular FormulaC20H12N4O2
Molecular Weight340.34 g/mol
Exact Mass340.10
IUPAC Name2-(4-nitronaphthalen-1-yl)-1H-imidazo[4,5-g]quinoline
SMILESO=[N+]([O-])c1ccc(-c2nc3cc4ncccc4cc3[nH]2)c2ccccc12
InChIInChI=1S/C20H12N4O2/c25-24(26)19-8-7-15(13-5-1-2-6-14(13)19)20-22-17-10-12-4-3-9-21-16(12)11-18(17)23-20/h1-11H,(H,22,23)
InChIKeyPTQNRTGOLOBXAE-UHFFFAOYSA-N
XLogP4.84
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-(4-nitronaphthalen-1-yl)-1H-imidazo[4,5-g]quinoline?
The IUPAC name of 2-(4-nitronaphthalen-1-yl)-1H-imidazo[4,5-g]quinoline (CID 57394719) is 2-(4-nitronaphthalen-1-yl)-1H-imidazo[4,5-g]quinoline.
What is the SMILES notation for 2-(4-nitronaphthalen-1-yl)-1H-imidazo[4,5-g]quinoline?
The canonical SMILES for 2-(4-nitronaphthalen-1-yl)-1H-imidazo[4,5-g]quinoline is O=[N+]([O-])c1ccc(-c2nc3cc4ncccc4cc3[nH]2)c2ccccc12.
What is the InChIKey of 2-(4-nitronaphthalen-1-yl)-1H-imidazo[4,5-g]quinoline?
The InChIKey is PTQNRTGOLOBXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N4O2/c25-24(26)19-8-7-15(13-5-1-2-6-14(13)19)20-22-17-10-12-4-3-9-21-16(12)11-18(17)23-20/h1-11H,(H,22,23).
What are the key properties of 2-(4-nitronaphthalen-1-yl)-1H-imidazo[4,5-g]quinoline?
2-(4-nitronaphthalen-1-yl)-1H-imidazo[4,5-g]quinoline has a molecular weight of 340.34 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitronaphthalen-1-yl)-1H-imidazo[4,5-g]quinoline is sourced from PubChem (CID 57394719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).