6-(2-phenylethoxy)-[1,3]dioxolo[4,5-j]phenanthridine

C22H17NO3 — CID 139237684

IUPAC6-(2-phenylethoxy)-[1,3]dioxolo[4,5-j]phenanthridine
SMILESc1ccc(CCOc2nc3ccccc3c3cc4c(cc23)OCO4)cc1
InChIInChI=1S/C22H17NO3/c1-2-6-15(7-3-1)10-11-24-22-18-13-21-20(25-14-26-21)12-17(18)16-8-4-5-9-19(16)23-22/h1-9,12-13H,10-11,14H2
InChIKeyBLIAETMXYQOWDG-UHFFFAOYSA-N
MW343.38 g/mol
LogP4.74
Rot. Bonds4

About 6-(2-phenylethoxy)-[1,3]dioxolo[4,5-j]phenanthridine

6-(2-phenylethoxy)-[1,3]dioxolo[4,5-j]phenanthridine (PubChem CID 139237684) has the molecular formula C22H17NO3 and a molecular weight of 343.38 g/mol. Its IUPAC name is 6-(2-phenylethoxy)-[1,3]dioxolo[4,5-j]phenanthridine.

Molecular Properties

Compound Name6-(2-phenylethoxy)-[1,3]dioxolo[4,5-j]phenanthridine
PubChem CID139237684
Molecular FormulaC22H17NO3
Molecular Weight343.38 g/mol
Exact Mass343.12
IUPAC Name6-(2-phenylethoxy)-[1,3]dioxolo[4,5-j]phenanthridine
SMILESc1ccc(CCOc2nc3ccccc3c3cc4c(cc23)OCO4)cc1
InChIInChI=1S/C22H17NO3/c1-2-6-15(7-3-1)10-11-24-22-18-13-21-20(25-14-26-21)12-17(18)16-8-4-5-9-19(16)23-22/h1-9,12-13H,10-11,14H2
InChIKeyBLIAETMXYQOWDG-UHFFFAOYSA-N
XLogP4.74
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(3-methylbutoxy)-[1,3]dioxolo[4,5-j]phenanthridine
CID 139237683
6-chloro-[1,3]dioxolo[4,5-j]phenanthridine
CID 11032549
6-(trifluoromethyl)-[1,3]dioxolo[4,5-j]phenanthridine
CID 134841525
N-(1,3-benzodioxol-5-yl)-2-benzyl-N-methylquinazolin-4-amine
CID 69314015
4-[2-(4-tert-butylphenyl)ethoxy]-2-(18F)fluoroquinazoline
CID 11347876
2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-(2-phenylethyl)quinazolin-4-one
CID 51365667
3-[2-(6-bromo-1,3-benzodioxol-5-yl)ethyl]quinoline
CID 15507695
4-ethoxy-2-(2-phenylethyl)quinazoline
CID 132571184
4-[2-(3-phenylsulfanylphenyl)ethoxy]quinazoline
CID 67620011
4-(3-pyridin-4-ylpropoxy)quinazolin-2-amine
CID 80845389
2-[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]acetic acid
CID 91665266
N-[[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-2-phenylethanamine
CID 26337971

Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylethoxy)-[1,3]dioxolo[4,5-j]phenanthridine?
The IUPAC name of 6-(2-phenylethoxy)-[1,3]dioxolo[4,5-j]phenanthridine (CID 139237684) is 6-(2-phenylethoxy)-[1,3]dioxolo[4,5-j]phenanthridine.
What is the SMILES notation for 6-(2-phenylethoxy)-[1,3]dioxolo[4,5-j]phenanthridine?
The canonical SMILES for 6-(2-phenylethoxy)-[1,3]dioxolo[4,5-j]phenanthridine is c1ccc(CCOc2nc3ccccc3c3cc4c(cc23)OCO4)cc1.
What is the InChIKey of 6-(2-phenylethoxy)-[1,3]dioxolo[4,5-j]phenanthridine?
The InChIKey is BLIAETMXYQOWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO3/c1-2-6-15(7-3-1)10-11-24-22-18-13-21-20(25-14-26-21)12-17(18)16-8-4-5-9-19(16)23-22/h1-9,12-13H,10-11,14H2.
What are the key properties of 6-(2-phenylethoxy)-[1,3]dioxolo[4,5-j]phenanthridine?
6-(2-phenylethoxy)-[1,3]dioxolo[4,5-j]phenanthridine has a molecular weight of 343.38 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylethoxy)-[1,3]dioxolo[4,5-j]phenanthridine is sourced from PubChem (CID 139237684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).