2-ethoxy-3,8,9-trimethoxybenzo[c]phenanthridine

C22H21NO4 — CID 10992106

IUPAC2-ethoxy-3,8,9-trimethoxybenzo[c]phenanthridine
SMILESCCOc1cc2ccc3c4cc(OC)c(OC)cc4cnc3c2cc1OC
InChIInChI=1S/C22H21NO4/c1-5-27-21-8-13-6-7-15-16-10-19(25-3)18(24-2)9-14(16)12-23-22(15)17(13)11-20(21)26-4/h6-12H,5H2,1-4H3
InChIKeyPSGORVGMWUXVDX-UHFFFAOYSA-N
MW363.41 g/mol
LogP4.97
Rot. Bonds5

About 2-ethoxy-3,8,9-trimethoxybenzo[c]phenanthridine

2-ethoxy-3,8,9-trimethoxybenzo[c]phenanthridine (PubChem CID 10992106) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is 2-ethoxy-3,8,9-trimethoxybenzo[c]phenanthridine.

Molecular Properties

Compound Name2-ethoxy-3,8,9-trimethoxybenzo[c]phenanthridine
PubChem CID10992106
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Name2-ethoxy-3,8,9-trimethoxybenzo[c]phenanthridine
SMILESCCOc1cc2ccc3c4cc(OC)c(OC)cc4cnc3c2cc1OC
InChIInChI=1S/C22H21NO4/c1-5-27-21-8-13-6-7-15-16-10-19(25-3)18(24-2)9-14(16)12-23-22(15)17(13)11-20(21)26-4/h6-12H,5H2,1-4H3
InChIKeyPSGORVGMWUXVDX-UHFFFAOYSA-N
XLogP4.97
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,8-dimethoxybenzo[c]phenanthridine-3,9-diol
CID 135779119
2,3,8,9-tetramethoxynaphtho[1,2-c]cinnoline
CID 22716428
4-[(8-ethoxyquinolin-2-yl)methyl]-6,7-dimethoxyisoquinoline;methane
CID 158617122
8,9-dimethoxy-2,2-dimethylpyrano[2,3-c]phenanthridine
CID 10758120
2-chloro-6-ethoxy-7-methoxyquinazoline
CID 141299474
(6-ethoxy-7-methoxynaphthalen-1-yl)methanol;hydrochloride
CID 172703770
6-ethoxy-7-methoxy-4-(quinolin-3-ylmethyl)isoquinoline;methane
CID 159414257
2,3,9,10-tetramethoxy-7-methylbenzo[c]acridine
CID 19610813
CID 122471355
CID 122471355
CID 69200440
CID 69200440
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
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

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3,8,9-trimethoxybenzo[c]phenanthridine?
The IUPAC name of 2-ethoxy-3,8,9-trimethoxybenzo[c]phenanthridine (CID 10992106) is 2-ethoxy-3,8,9-trimethoxybenzo[c]phenanthridine.
What is the SMILES notation for 2-ethoxy-3,8,9-trimethoxybenzo[c]phenanthridine?
The canonical SMILES for 2-ethoxy-3,8,9-trimethoxybenzo[c]phenanthridine is CCOc1cc2ccc3c4cc(OC)c(OC)cc4cnc3c2cc1OC.
What is the InChIKey of 2-ethoxy-3,8,9-trimethoxybenzo[c]phenanthridine?
The InChIKey is PSGORVGMWUXVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4/c1-5-27-21-8-13-6-7-15-16-10-19(25-3)18(24-2)9-14(16)12-23-22(15)17(13)11-20(21)26-4/h6-12H,5H2,1-4H3.
What are the key properties of 2-ethoxy-3,8,9-trimethoxybenzo[c]phenanthridine?
2-ethoxy-3,8,9-trimethoxybenzo[c]phenanthridine has a molecular weight of 363.41 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3,8,9-trimethoxybenzo[c]phenanthridine is sourced from PubChem (CID 10992106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).