3-methoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-4-ol

C19H13NO4 — CID 101444899

IUPAC3-methoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-4-ol
SMILESCOc1ccc2cnc3c4cc5c(cc4ccc3c2c1O)OCO5
InChIInChI=1S/C19H13NO4/c1-22-14-5-3-11-8-20-18-12(17(11)19(14)21)4-2-10-6-15-16(7-13(10)18)24-9-23-15/h2-8,21H,9H2,1H3
InChIKeyGZJWNRCNJCKPLX-UHFFFAOYSA-N
MW319.32 g/mol
LogP3.98
Rot. Bonds1

About 3-methoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-4-ol

3-methoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-4-ol (PubChem CID 101444899) has the molecular formula C19H13NO4 and a molecular weight of 319.32 g/mol. Its IUPAC name is 3-methoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-4-ol.

Molecular Properties

Compound Name3-methoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-4-ol
PubChem CID101444899
Molecular FormulaC19H13NO4
Molecular Weight319.32 g/mol
Exact Mass319.08
IUPAC Name3-methoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-4-ol
SMILESCOc1ccc2cnc3c4cc5c(cc4ccc3c2c1O)OCO5
InChIInChI=1S/C19H13NO4/c1-22-14-5-3-11-8-20-18-12(17(11)19(14)21)4-2-10-6-15-16(7-13(10)18)24-9-23-15/h2-8,21H,9H2,1H3
InChIKeyGZJWNRCNJCKPLX-UHFFFAOYSA-N
XLogP3.98
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5,7,17,19-tetraoxa-12-azahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),9,11,14,16(20),21,23-nonaene
CID 14037817
17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,11,14,16,18,20-nonaen-16-ol
CID 58033344
2,8-dimethoxybenzo[c]phenanthridine-3,9-diol
CID 135779119
16-methoxy-8-phenylmethoxy-22-azapentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(22),2(11),3,5,7,9,12,14,16,18,20-undecaene
CID 21258234
1,2-dimethoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium
CID 144759738
2-[(benzo[f][1,3]benzodioxol-5-ylamino)methyl]-6-methoxyphenol
CID 24798894
3,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,11,14,16,18,20-nonaen-16-ol bromide
CID 21417451
2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium
CID 4501
18-methoxy-5,7,14-trioxapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,11,15(20),16,18-octaen-21-one
CID 135196704
N-[6-(2-hydroxy-3,4,5-trimethoxyphenyl)benzo[f][1,3]benzodioxol-5-yl]-N-methylformamide
CID 163032476
2-ethoxy-3,8,9-trimethoxybenzo[c]phenanthridine
CID 10992106
2,3-dimethoxy-N-(2-piperidin-1-ylethyl)-[1,3]benzodioxolo[5,6-c]phenanthridin-13-amine
CID 168837579

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-4-ol?
The IUPAC name of 3-methoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-4-ol (CID 101444899) is 3-methoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-4-ol.
What is the SMILES notation for 3-methoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-4-ol?
The canonical SMILES for 3-methoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-4-ol is COc1ccc2cnc3c4cc5c(cc4ccc3c2c1O)OCO5.
What is the InChIKey of 3-methoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-4-ol?
The InChIKey is GZJWNRCNJCKPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO4/c1-22-14-5-3-11-8-20-18-12(17(11)19(14)21)4-2-10-6-15-16(7-13(10)18)24-9-23-15/h2-8,21H,9H2,1H3.
What are the key properties of 3-methoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-4-ol?
3-methoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-4-ol has a molecular weight of 319.32 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-4-ol is sourced from PubChem (CID 101444899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).