7-[(3-amino-4-methyl-2-pyridinyl)oxy]phenanthren-2-ol

C20H16N2O2 — CID 57159426

IUPAC7-[(3-amino-4-methyl-2-pyridinyl)oxy]phenanthren-2-ol
SMILESCc1ccnc(Oc2ccc3c(ccc4cc(O)ccc43)c2)c1N
InChIInChI=1S/C20H16N2O2/c1-12-8-9-22-20(19(12)21)24-16-5-7-18-14(11-16)3-2-13-10-15(23)4-6-17(13)18/h2-11,23H,21H2,1H3
InChIKeyXICYQCKVPSPBKU-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.78
Rot. Bonds2

About 7-[(3-amino-4-methyl-2-pyridinyl)oxy]phenanthren-2-ol

7-[(3-amino-4-methyl-2-pyridinyl)oxy]phenanthren-2-ol (PubChem CID 57159426) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 7-[(3-amino-4-methyl-2-pyridinyl)oxy]phenanthren-2-ol.

Molecular Properties

Compound Name7-[(3-amino-4-methyl-2-pyridinyl)oxy]phenanthren-2-ol
PubChem CID57159426
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name7-[(3-amino-4-methyl-2-pyridinyl)oxy]phenanthren-2-ol
SMILESCc1ccnc(Oc2ccc3c(ccc4cc(O)ccc43)c2)c1N
InChIInChI=1S/C20H16N2O2/c1-12-8-9-22-20(19(12)21)24-16-5-7-18-14(11-16)3-2-13-10-15(23)4-6-17(13)18/h2-11,23H,21H2,1H3
InChIKeyXICYQCKVPSPBKU-UHFFFAOYSA-N
XLogP4.78
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.78
H-Bond Donors ≤ 52
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 7-[(3-amino-4-methyl-2-pyridinyl)oxy]phenanthren-2-ol?
The IUPAC name of 7-[(3-amino-4-methyl-2-pyridinyl)oxy]phenanthren-2-ol (CID 57159426) is 7-[(3-amino-4-methyl-2-pyridinyl)oxy]phenanthren-2-ol.
What is the SMILES notation for 7-[(3-amino-4-methyl-2-pyridinyl)oxy]phenanthren-2-ol?
The canonical SMILES for 7-[(3-amino-4-methyl-2-pyridinyl)oxy]phenanthren-2-ol is Cc1ccnc(Oc2ccc3c(ccc4cc(O)ccc43)c2)c1N.
What is the InChIKey of 7-[(3-amino-4-methyl-2-pyridinyl)oxy]phenanthren-2-ol?
The InChIKey is XICYQCKVPSPBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-12-8-9-22-20(19(12)21)24-16-5-7-18-14(11-16)3-2-13-10-15(23)4-6-17(13)18/h2-11,23H,21H2,1H3.
What are the key properties of 7-[(3-amino-4-methyl-2-pyridinyl)oxy]phenanthren-2-ol?
7-[(3-amino-4-methyl-2-pyridinyl)oxy]phenanthren-2-ol has a molecular weight of 316.36 g/mol, XLogP of 4.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-amino-4-methyl-2-pyridinyl)oxy]phenanthren-2-ol is sourced from PubChem (CID 57159426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).