2,8-dimethoxybenzo[c]phenanthridine-3,9-diol

C19H15NO4 — CID 135779119

IUPAC2,8-dimethoxybenzo[c]phenanthridine-3,9-diol
SMILESCOc1cc2cnc3c4cc(O)c(OC)cc4ccc3c2cc1O
InChIInChI=1S/C19H15NO4/c1-23-17-5-10-3-4-12-13-7-15(21)18(24-2)6-11(13)9-20-19(12)14(10)8-16(17)22/h3-9,21-22H,1-2H3
InChIKeyJCPGYGNCDUEXAV-UHFFFAOYSA-N
MW321.33 g/mol
LogP3.97
Rot. Bonds2

About 2,8-dimethoxybenzo[c]phenanthridine-3,9-diol

2,8-dimethoxybenzo[c]phenanthridine-3,9-diol (PubChem CID 135779119) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is 2,8-dimethoxybenzo[c]phenanthridine-3,9-diol.

Molecular Properties

Compound Name2,8-dimethoxybenzo[c]phenanthridine-3,9-diol
PubChem CID135779119
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name2,8-dimethoxybenzo[c]phenanthridine-3,9-diol
SMILESCOc1cc2cnc3c4cc(O)c(OC)cc4ccc3c2cc1O
InChIInChI=1S/C19H15NO4/c1-23-17-5-10-3-4-12-13-7-15(21)18(24-2)6-11(13)9-20-19(12)14(10)8-16(17)22/h3-9,21-22H,1-2H3
InChIKeyJCPGYGNCDUEXAV-UHFFFAOYSA-N
XLogP3.97
TPSA71.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-3,8,9-trimethoxybenzo[c]phenanthridine
CID 10992106
1-(2,6-dihydroxy-4,7-dimethoxyphenanthren-1-yl)-4,7-dimethoxyphenanthrene-2,6-diol
CID 86198082
3-methoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-4-ol
CID 101444899
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
2,3,8,9-tetramethoxynaphtho[1,2-c]cinnoline
CID 22716428
CID 122471355
CID 122471355
8,9-dimethoxy-2,2-dimethylpyrano[2,3-c]phenanthridine
CID 10758120
7-methoxyisoquinolin-6-ol;hydrochloride
CID 135539724
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
(6,7-dimethoxy-4-methylisoquinolin-3-yl)methanol
CID 11107234
6-methoxyquinazolin-7-ol;hydrochloride
CID 174888473
5,6,7-trimethoxyphenanthren-2-ol
CID 11997529

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethoxybenzo[c]phenanthridine-3,9-diol?
The IUPAC name of 2,8-dimethoxybenzo[c]phenanthridine-3,9-diol (CID 135779119) is 2,8-dimethoxybenzo[c]phenanthridine-3,9-diol.
What is the SMILES notation for 2,8-dimethoxybenzo[c]phenanthridine-3,9-diol?
The canonical SMILES for 2,8-dimethoxybenzo[c]phenanthridine-3,9-diol is COc1cc2cnc3c4cc(O)c(OC)cc4ccc3c2cc1O.
What is the InChIKey of 2,8-dimethoxybenzo[c]phenanthridine-3,9-diol?
The InChIKey is JCPGYGNCDUEXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c1-23-17-5-10-3-4-12-13-7-15(21)18(24-2)6-11(13)9-20-19(12)14(10)8-16(17)22/h3-9,21-22H,1-2H3.
What are the key properties of 2,8-dimethoxybenzo[c]phenanthridine-3,9-diol?
2,8-dimethoxybenzo[c]phenanthridine-3,9-diol has a molecular weight of 321.33 g/mol, XLogP of 3.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethoxybenzo[c]phenanthridine-3,9-diol is sourced from PubChem (CID 135779119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).