5-ethyl-2,3,8,9-tetramethoxyphenanthridin-6-one

C19H21NO5 — CID 10405159

IUPAC5-ethyl-2,3,8,9-tetramethoxyphenanthridin-6-one
SMILESCCn1c(=O)c2cc(OC)c(OC)cc2c2cc(OC)c(OC)cc21
InChIInChI=1S/C19H21NO5/c1-6-20-14-10-18(25-5)16(23-3)8-12(14)11-7-15(22-2)17(24-4)9-13(11)19(20)21/h7-10H,6H2,1-5H3
InChIKeySUXOLOPLOGBCAZ-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.21
Rot. Bonds5

About 5-ethyl-2,3,8,9-tetramethoxyphenanthridin-6-one

5-ethyl-2,3,8,9-tetramethoxyphenanthridin-6-one (PubChem CID 10405159) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 5-ethyl-2,3,8,9-tetramethoxyphenanthridin-6-one.

Molecular Properties

Compound Name5-ethyl-2,3,8,9-tetramethoxyphenanthridin-6-one
PubChem CID10405159
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name5-ethyl-2,3,8,9-tetramethoxyphenanthridin-6-one
SMILESCCn1c(=O)c2cc(OC)c(OC)cc2c2cc(OC)c(OC)cc21
InChIInChI=1S/C19H21NO5/c1-6-20-14-10-18(25-5)16(23-3)8-12(14)11-7-15(22-2)17(24-4)9-13(11)19(20)21/h7-10H,6H2,1-5H3
InChIKeySUXOLOPLOGBCAZ-UHFFFAOYSA-N
XLogP3.21
TPSA58.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-4-(hydroxymethyl)-8,9-dimethoxyphenanthridin-6-one
CID 148927508
2,6-diethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 11054801
4-bromo-2-ethyl-6,7-dimethoxyisoquinolin-1-one
CID 68853897
2-(3-ethyl-6,7-dimethoxy-4-oxoquinazolin-2-yl)sulfanylacetic acid
CID 7174419
2-(3-benzyl-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl)acetic acid
CID 95914099
7-butoxy-3-ethyl-6-methoxy-2-methylquinazolin-4-one
CID 134112398
5,12-diethyl-1,3,8,10-tetramethoxyquinolino[2,3-b]acridine-7,14-dione
CID 141053736
6,7-dimethoxy-3-propyl-1H-quinazoline-2,4-dione
CID 94075074
3-benzyl-1-[3-(dimethylamino)propyl]-6,7-dimethoxyquinazoline-2,4-dione
CID 53370466
20-ethyl-15,16-dimethoxy-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-19-one
CID 10618823
2-ethyl-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 12944395
disodium bis(3-carboxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinolin-4-olate)
CID 70611924

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,3,8,9-tetramethoxyphenanthridin-6-one?
The IUPAC name of 5-ethyl-2,3,8,9-tetramethoxyphenanthridin-6-one (CID 10405159) is 5-ethyl-2,3,8,9-tetramethoxyphenanthridin-6-one.
What is the SMILES notation for 5-ethyl-2,3,8,9-tetramethoxyphenanthridin-6-one?
The canonical SMILES for 5-ethyl-2,3,8,9-tetramethoxyphenanthridin-6-one is CCn1c(=O)c2cc(OC)c(OC)cc2c2cc(OC)c(OC)cc21.
What is the InChIKey of 5-ethyl-2,3,8,9-tetramethoxyphenanthridin-6-one?
The InChIKey is SUXOLOPLOGBCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-6-20-14-10-18(25-5)16(23-3)8-12(14)11-7-15(22-2)17(24-4)9-13(11)19(20)21/h7-10H,6H2,1-5H3.
What are the key properties of 5-ethyl-2,3,8,9-tetramethoxyphenanthridin-6-one?
5-ethyl-2,3,8,9-tetramethoxyphenanthridin-6-one has a molecular weight of 343.38 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,3,8,9-tetramethoxyphenanthridin-6-one is sourced from PubChem (CID 10405159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).