6-anilinophenanthridine-3-carboxylic acid

C20H14N2O2 — CID 50942726

IUPAC6-anilinophenanthridine-3-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(Nc1ccccc1)c1ccccc12
InChIInChI=1S/C20H14N2O2/c23-20(24)13-10-11-16-15-8-4-5-9-17(15)19(22-18(16)12-13)21-14-6-2-1-3-7-14/h1-12H,(H,21,22)(H,23,24)
InChIKeyDNJKQXFIBRGKLP-UHFFFAOYSA-N
MW314.34 g/mol
LogP4.83
Rot. Bonds3

About 6-anilinophenanthridine-3-carboxylic acid

6-anilinophenanthridine-3-carboxylic acid (PubChem CID 50942726) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is 6-anilinophenanthridine-3-carboxylic acid.

Molecular Properties

Compound Name6-anilinophenanthridine-3-carboxylic acid
PubChem CID50942726
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC Name6-anilinophenanthridine-3-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(Nc1ccccc1)c1ccccc12
InChIInChI=1S/C20H14N2O2/c23-20(24)13-10-11-16-15-8-4-5-9-17(15)19(22-18(16)12-13)21-14-6-2-1-3-7-14/h1-12H,(H,21,22)(H,23,24)
InChIKeyDNJKQXFIBRGKLP-UHFFFAOYSA-N
XLogP4.83
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-anilinophenanthridine-3-carboxylic acid?
The IUPAC name of 6-anilinophenanthridine-3-carboxylic acid (CID 50942726) is 6-anilinophenanthridine-3-carboxylic acid.
What is the SMILES notation for 6-anilinophenanthridine-3-carboxylic acid?
The canonical SMILES for 6-anilinophenanthridine-3-carboxylic acid is O=C(O)c1ccc2c(c1)nc(Nc1ccccc1)c1ccccc12.
What is the InChIKey of 6-anilinophenanthridine-3-carboxylic acid?
The InChIKey is DNJKQXFIBRGKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2/c23-20(24)13-10-11-16-15-8-4-5-9-17(15)19(22-18(16)12-13)21-14-6-2-1-3-7-14/h1-12H,(H,21,22)(H,23,24).
What are the key properties of 6-anilinophenanthridine-3-carboxylic acid?
6-anilinophenanthridine-3-carboxylic acid has a molecular weight of 314.34 g/mol, XLogP of 4.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilinophenanthridine-3-carboxylic acid is sourced from PubChem (CID 50942726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).