8,10-dimethoxyphenanthridine-4-carboxylic acid

C16H13NO4 — CID 101486809

IUPAC8,10-dimethoxyphenanthridine-4-carboxylic acid
SMILESCOc1cc(OC)c2c(cnc3c(C(=O)O)cccc32)c1
InChIInChI=1S/C16H13NO4/c1-20-10-6-9-8-17-15-11(14(9)13(7-10)21-2)4-3-5-12(15)16(18)19/h3-8H,1-2H3,(H,18,19)
InChIKeyJVKLGRIFONUFFD-UHFFFAOYSA-N
MW283.28 g/mol
LogP3.10
Rot. Bonds3

About 8,10-dimethoxyphenanthridine-4-carboxylic acid

8,10-dimethoxyphenanthridine-4-carboxylic acid (PubChem CID 101486809) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is 8,10-dimethoxyphenanthridine-4-carboxylic acid.

Molecular Properties

Compound Name8,10-dimethoxyphenanthridine-4-carboxylic acid
PubChem CID101486809
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name8,10-dimethoxyphenanthridine-4-carboxylic acid
SMILESCOc1cc(OC)c2c(cnc3c(C(=O)O)cccc32)c1
InChIInChI=1S/C16H13NO4/c1-20-10-6-9-8-17-15-11(14(9)13(7-10)21-2)4-3-5-12(15)16(18)19/h3-8H,1-2H3,(H,18,19)
InChIKeyJVKLGRIFONUFFD-UHFFFAOYSA-N
XLogP3.10
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 8,10-dimethoxyphenanthridine-4-carboxylic acid?
The IUPAC name of 8,10-dimethoxyphenanthridine-4-carboxylic acid (CID 101486809) is 8,10-dimethoxyphenanthridine-4-carboxylic acid.
What is the SMILES notation for 8,10-dimethoxyphenanthridine-4-carboxylic acid?
The canonical SMILES for 8,10-dimethoxyphenanthridine-4-carboxylic acid is COc1cc(OC)c2c(cnc3c(C(=O)O)cccc32)c1.
What is the InChIKey of 8,10-dimethoxyphenanthridine-4-carboxylic acid?
The InChIKey is JVKLGRIFONUFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c1-20-10-6-9-8-17-15-11(14(9)13(7-10)21-2)4-3-5-12(15)16(18)19/h3-8H,1-2H3,(H,18,19).
What are the key properties of 8,10-dimethoxyphenanthridine-4-carboxylic acid?
8,10-dimethoxyphenanthridine-4-carboxylic acid has a molecular weight of 283.28 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-dimethoxyphenanthridine-4-carboxylic acid is sourced from PubChem (CID 101486809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).