methyl 2-(3,12b-dihydro-2H-imidazo[1,2-f]phenanthridin-1-yl)acetate

C18H18N2O2 — CID 69376208

IUPACmethyl 2-(3,12b-dihydro-2H-imidazo[1,2-f]phenanthridin-1-yl)acetate
SMILESCOC(=O)CN1CCN2c3ccccc3-c3ccccc3C12
InChIInChI=1S/C18H18N2O2/c1-22-17(21)12-19-10-11-20-16-9-5-4-7-14(16)13-6-2-3-8-15(13)18(19)20/h2-9,18H,10-12H2,1H3
InChIKeyRDCHPOUNXIJKII-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.66
Rot. Bonds2

About methyl 2-(3,12b-dihydro-2H-imidazo[1,2-f]phenanthridin-1-yl)acetate

methyl 2-(3,12b-dihydro-2H-imidazo[1,2-f]phenanthridin-1-yl)acetate (PubChem CID 69376208) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is methyl 2-(3,12b-dihydro-2H-imidazo[1,2-f]phenanthridin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3,12b-dihydro-2H-imidazo[1,2-f]phenanthridin-1-yl)acetate
PubChem CID69376208
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Namemethyl 2-(3,12b-dihydro-2H-imidazo[1,2-f]phenanthridin-1-yl)acetate
SMILESCOC(=O)CN1CCN2c3ccccc3-c3ccccc3C12
InChIInChI=1S/C18H18N2O2/c1-22-17(21)12-19-10-11-20-16-9-5-4-7-14(16)13-6-2-3-8-15(13)18(19)20/h2-9,18H,10-12H2,1H3
InChIKeyRDCHPOUNXIJKII-UHFFFAOYSA-N
XLogP2.66
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,12b-dihydro-2H-imidazo[1,2-f]phenanthridin-1-yl)acetate?
The IUPAC name of methyl 2-(3,12b-dihydro-2H-imidazo[1,2-f]phenanthridin-1-yl)acetate (CID 69376208) is methyl 2-(3,12b-dihydro-2H-imidazo[1,2-f]phenanthridin-1-yl)acetate.
What is the SMILES notation for methyl 2-(3,12b-dihydro-2H-imidazo[1,2-f]phenanthridin-1-yl)acetate?
The canonical SMILES for methyl 2-(3,12b-dihydro-2H-imidazo[1,2-f]phenanthridin-1-yl)acetate is COC(=O)CN1CCN2c3ccccc3-c3ccccc3C12.
What is the InChIKey of methyl 2-(3,12b-dihydro-2H-imidazo[1,2-f]phenanthridin-1-yl)acetate?
The InChIKey is RDCHPOUNXIJKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-22-17(21)12-19-10-11-20-16-9-5-4-7-14(16)13-6-2-3-8-15(13)18(19)20/h2-9,18H,10-12H2,1H3.
What are the key properties of methyl 2-(3,12b-dihydro-2H-imidazo[1,2-f]phenanthridin-1-yl)acetate?
methyl 2-(3,12b-dihydro-2H-imidazo[1,2-f]phenanthridin-1-yl)acetate has a molecular weight of 294.35 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,12b-dihydro-2H-imidazo[1,2-f]phenanthridin-1-yl)acetate is sourced from PubChem (CID 69376208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).