6-methoxy-[1,3]dioxolo[4,5-b]phenanthridin-5-one

C15H11NO4 — CID 102098309

IUPAC6-methoxy-[1,3]dioxolo[4,5-b]phenanthridin-5-one
SMILESCOn1c(=O)c2ccccc2c2cc3c(cc21)OCO3
InChIInChI=1S/C15H11NO4/c1-18-16-12-7-14-13(19-8-20-14)6-11(12)9-4-2-3-5-10(9)15(16)17/h2-7H,8H2,1H3
InChIKeyKXUNCBQEKKARGQ-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.94
Rot. Bonds1

About 6-methoxy-[1,3]dioxolo[4,5-b]phenanthridin-5-one

6-methoxy-[1,3]dioxolo[4,5-b]phenanthridin-5-one (PubChem CID 102098309) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 6-methoxy-[1,3]dioxolo[4,5-b]phenanthridin-5-one.

Molecular Properties

Compound Name6-methoxy-[1,3]dioxolo[4,5-b]phenanthridin-5-one
PubChem CID102098309
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name6-methoxy-[1,3]dioxolo[4,5-b]phenanthridin-5-one
SMILESCOn1c(=O)c2ccccc2c2cc3c(cc21)OCO3
InChIInChI=1S/C15H11NO4/c1-18-16-12-7-14-13(19-8-20-14)6-11(12)9-4-2-3-5-10(9)15(16)17/h2-7H,8H2,1H3
InChIKeyKXUNCBQEKKARGQ-UHFFFAOYSA-N
XLogP1.94
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.94
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

2,5-dimethoxyphenanthridin-6-one
CID 134964837
8-bromo-5-methoxyphenanthridin-6-one
CID 71503853
5-hydroxy-7-naphthalen-1-yl-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 118719515
11-phenyl-5,7-dioxa-11,12,20-triazapentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,4(8),9,14,16,18-heptaen-13-one
CID 71722413
methyl 3-(1,3-benzodioxol-5-ylmethyl)-4-oxophthalazine-1-carboxylate
CID 95921852
5-methoxy-7H-[1,3]dioxolo[4,5-f]indol-6-one
CID 135021934
7-benzoyl-5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 18592568
5-(4-methoxyphenyl)-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
CID 70481800
3-(1,3-benzodioxol-5-yl)-10-methylacridin-9-one
CID 24818813
5-(4-methoxyphenyl)-8-methyl-4,12,14-trioxa-8-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),5,9,11(15)-pentaen-3-one
CID 11035465
2-(1,3-benzodioxol-5-yl)-1-oxo-N-propan-2-ylisoquinoline-4-carboxamide
CID 71754157
2-[3-(1,3-benzodioxol-5-ylmethyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)acetamide
CID 22429491

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-[1,3]dioxolo[4,5-b]phenanthridin-5-one?
The IUPAC name of 6-methoxy-[1,3]dioxolo[4,5-b]phenanthridin-5-one (CID 102098309) is 6-methoxy-[1,3]dioxolo[4,5-b]phenanthridin-5-one.
What is the SMILES notation for 6-methoxy-[1,3]dioxolo[4,5-b]phenanthridin-5-one?
The canonical SMILES for 6-methoxy-[1,3]dioxolo[4,5-b]phenanthridin-5-one is COn1c(=O)c2ccccc2c2cc3c(cc21)OCO3.
What is the InChIKey of 6-methoxy-[1,3]dioxolo[4,5-b]phenanthridin-5-one?
The InChIKey is KXUNCBQEKKARGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c1-18-16-12-7-14-13(19-8-20-14)6-11(12)9-4-2-3-5-10(9)15(16)17/h2-7H,8H2,1H3.
What are the key properties of 6-methoxy-[1,3]dioxolo[4,5-b]phenanthridin-5-one?
6-methoxy-[1,3]dioxolo[4,5-b]phenanthridin-5-one has a molecular weight of 269.26 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-[1,3]dioxolo[4,5-b]phenanthridin-5-one is sourced from PubChem (CID 102098309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).