2-chloro-3,8-dihydroxy-5H-phenanthridin-6-one

C13H8ClNO3 — CID 164598426

IUPAC2-chloro-3,8-dihydroxy-5H-phenanthridin-6-one
SMILESO=c1[nH]c2cc(O)c(Cl)cc2c2ccc(O)cc12
InChIInChI=1S/C13H8ClNO3/c14-10-4-8-7-2-1-6(16)3-9(7)13(18)15-11(8)5-12(10)17/h1-5,16-17H,(H,15,18)
InChIKeyHBCANUSMQIZFOR-UHFFFAOYSA-N
MW261.66 g/mol
LogP2.75
Rot. Bonds

About 2-chloro-3,8-dihydroxy-5H-phenanthridin-6-one

2-chloro-3,8-dihydroxy-5H-phenanthridin-6-one (PubChem CID 164598426) has the molecular formula C13H8ClNO3 and a molecular weight of 261.66 g/mol. Its IUPAC name is 2-chloro-3,8-dihydroxy-5H-phenanthridin-6-one.

Molecular Properties

Compound Name2-chloro-3,8-dihydroxy-5H-phenanthridin-6-one
PubChem CID164598426
Molecular FormulaC13H8ClNO3
Molecular Weight261.66 g/mol
Exact Mass261.02
IUPAC Name2-chloro-3,8-dihydroxy-5H-phenanthridin-6-one
SMILESO=c1[nH]c2cc(O)c(Cl)cc2c2ccc(O)cc12
InChIInChI=1S/C13H8ClNO3/c14-10-4-8-7-2-1-6(16)3-9(7)13(18)15-11(8)5-12(10)17/h1-5,16-17H,(H,15,18)
InChIKeyHBCANUSMQIZFOR-UHFFFAOYSA-N
XLogP2.75
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.66
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chlorobenzene-1,3-diol
CID 1731
3,6-dihydroxy-10H-acridin-9-one
CID 14086995
3-hydroxy-8-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]-5H-phenanthridin-6-one
CID 164597940
triphenylene-2,6,10-triol
CID 19043276
4-chloro-2-hydroxy-5H-phenanthridin-6-one;hydrochloride
CID 175751706
4-(4-chlorophenyl)-7-hydroxy-2-oxo-1H-quinoline-3-carbonitrile
CID 11369958
ethene;3-hydroxy-8-(4-hydroxy-3-methylbutyl)-5H-phenanthridin-6-one
CID 172595850
7-chloro-4-hydroxy-3-methylsulfonyl-1H-quinolin-2-one
CID 54689450
3-cyclopropyl-7-hydroxy-1H-quinazoline-2,4-dione
CID 117261706
6-hydroxy-4-methyl-2H-isoquinolin-1-one
CID 68875608
8-fluoro-6-oxo-5H-phenanthridine-3-carbonyl chloride
CID 22727932
3-(aminomethyl)-5-chloro-2-methyl-1H-indol-6-ol
CID 105464578

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,8-dihydroxy-5H-phenanthridin-6-one?
The IUPAC name of 2-chloro-3,8-dihydroxy-5H-phenanthridin-6-one (CID 164598426) is 2-chloro-3,8-dihydroxy-5H-phenanthridin-6-one.
What is the SMILES notation for 2-chloro-3,8-dihydroxy-5H-phenanthridin-6-one?
The canonical SMILES for 2-chloro-3,8-dihydroxy-5H-phenanthridin-6-one is O=c1[nH]c2cc(O)c(Cl)cc2c2ccc(O)cc12.
What is the InChIKey of 2-chloro-3,8-dihydroxy-5H-phenanthridin-6-one?
The InChIKey is HBCANUSMQIZFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNO3/c14-10-4-8-7-2-1-6(16)3-9(7)13(18)15-11(8)5-12(10)17/h1-5,16-17H,(H,15,18).
What are the key properties of 2-chloro-3,8-dihydroxy-5H-phenanthridin-6-one?
2-chloro-3,8-dihydroxy-5H-phenanthridin-6-one has a molecular weight of 261.66 g/mol, XLogP of 2.75, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,8-dihydroxy-5H-phenanthridin-6-one is sourced from PubChem (CID 164598426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).