8-bromo-5-methoxyphenanthridin-6-one

C14H10BrNO2 — CID 71503853

IUPAC8-bromo-5-methoxyphenanthridin-6-one
SMILESCOn1c(=O)c2cc(Br)ccc2c2ccccc21
InChIInChI=1S/C14H10BrNO2/c1-18-16-13-5-3-2-4-11(13)10-7-6-9(15)8-12(10)14(16)17/h2-8H,1H3
InChIKeyWEXQLLZLWGWNEC-UHFFFAOYSA-N
MW304.14 g/mol
LogP2.98
Rot. Bonds1

About 8-bromo-5-methoxyphenanthridin-6-one

8-bromo-5-methoxyphenanthridin-6-one (PubChem CID 71503853) has the molecular formula C14H10BrNO2 and a molecular weight of 304.14 g/mol. Its IUPAC name is 8-bromo-5-methoxyphenanthridin-6-one.

Molecular Properties

Compound Name8-bromo-5-methoxyphenanthridin-6-one
PubChem CID71503853
Molecular FormulaC14H10BrNO2
Molecular Weight304.14 g/mol
Exact Mass302.99
IUPAC Name8-bromo-5-methoxyphenanthridin-6-one
SMILESCOn1c(=O)c2cc(Br)ccc2c2ccccc21
InChIInChI=1S/C14H10BrNO2/c1-18-16-13-5-3-2-4-11(13)10-7-6-9(15)8-12(10)14(16)17/h2-8H,1H3
InChIKeyWEXQLLZLWGWNEC-UHFFFAOYSA-N
XLogP2.98
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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
7-chloro-5-methoxyphenanthridin-6-one
CID 139262009
CID 147627416
CID 147627416
6-methoxy-[1,3]dioxolo[4,5-b]phenanthridin-5-one
CID 102098309
2-bromo-5-(2-methylphenyl)phenanthridin-6-one
CID 146311346
1,2,3-trimethoxyquinolin-4-one
CID 174279293
3-bromoquinazolino[3,2-f]phenanthridin-14-one
CID 164913573
5-methoxy-2-methyl-[1,3]thiazolo[5,4-c]quinolin-4-one
CID 71442487
4-bromo-8,10,13,15-tetrazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2(7),3,5,9,11,13,16,18,20,22(26),23-dodecaene
CID 149498274
10-chloro-5-methoxy-7-methylindolo[2,3-c]quinolin-6-one
CID 122401286
7-benzyl-5-methoxyindolo[2,3-c]quinolin-6-one
CID 122401287
5-bromo-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaene
CID 142712012

Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-methoxyphenanthridin-6-one?
The IUPAC name of 8-bromo-5-methoxyphenanthridin-6-one (CID 71503853) is 8-bromo-5-methoxyphenanthridin-6-one.
What is the SMILES notation for 8-bromo-5-methoxyphenanthridin-6-one?
The canonical SMILES for 8-bromo-5-methoxyphenanthridin-6-one is COn1c(=O)c2cc(Br)ccc2c2ccccc21.
What is the InChIKey of 8-bromo-5-methoxyphenanthridin-6-one?
The InChIKey is WEXQLLZLWGWNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO2/c1-18-16-13-5-3-2-4-11(13)10-7-6-9(15)8-12(10)14(16)17/h2-8H,1H3.
What are the key properties of 8-bromo-5-methoxyphenanthridin-6-one?
8-bromo-5-methoxyphenanthridin-6-one has a molecular weight of 304.14 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-methoxyphenanthridin-6-one is sourced from PubChem (CID 71503853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).