2,4-dimethoxyphenanthridin-6-amine

C15H14N2O2 — CID 90682321

IUPAC2,4-dimethoxyphenanthridin-6-amine
SMILESCOc1cc(OC)c2nc(N)c3ccccc3c2c1
InChIInChI=1S/C15H14N2O2/c1-18-9-7-12-10-5-3-4-6-11(10)15(16)17-14(12)13(8-9)19-2/h3-8H,1-2H3,(H2,16,17)
InChIKeyPXVHCABTCHZABI-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.99
Rot. Bonds2

About 2,4-dimethoxyphenanthridin-6-amine

2,4-dimethoxyphenanthridin-6-amine (PubChem CID 90682321) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2,4-dimethoxyphenanthridin-6-amine.

Molecular Properties

Compound Name2,4-dimethoxyphenanthridin-6-amine
PubChem CID90682321
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2,4-dimethoxyphenanthridin-6-amine
SMILESCOc1cc(OC)c2nc(N)c3ccccc3c2c1
InChIInChI=1S/C15H14N2O2/c1-18-9-7-12-10-5-3-4-6-11(10)15(16)17-14(12)13(8-9)19-2/h3-8H,1-2H3,(H2,16,17)
InChIKeyPXVHCABTCHZABI-UHFFFAOYSA-N
XLogP2.99
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.99
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 2,4-dimethoxyphenanthridin-6-amine?
The IUPAC name of 2,4-dimethoxyphenanthridin-6-amine (CID 90682321) is 2,4-dimethoxyphenanthridin-6-amine.
What is the SMILES notation for 2,4-dimethoxyphenanthridin-6-amine?
The canonical SMILES for 2,4-dimethoxyphenanthridin-6-amine is COc1cc(OC)c2nc(N)c3ccccc3c2c1.
What is the InChIKey of 2,4-dimethoxyphenanthridin-6-amine?
The InChIKey is PXVHCABTCHZABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-18-9-7-12-10-5-3-4-6-11(10)15(16)17-14(12)13(8-9)19-2/h3-8H,1-2H3,(H2,16,17).
What are the key properties of 2,4-dimethoxyphenanthridin-6-amine?
2,4-dimethoxyphenanthridin-6-amine has a molecular weight of 254.29 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxyphenanthridin-6-amine is sourced from PubChem (CID 90682321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).