6-chloropyrido[3,2-a]phenoxazin-5-one

C15H7ClN2O2 — CID 141389603

IUPAC6-chloropyrido[3,2-a]phenoxazin-5-one
SMILESO=c1c(Cl)c2oc3ccccc3nc-2c2cccnc12
InChIInChI=1S/C15H7ClN2O2/c16-11-14(19)12-8(4-3-7-17-12)13-15(11)20-10-6-2-1-5-9(10)18-13/h1-7H
InChIKeyYBZJYSUZKKYTMB-UHFFFAOYSA-N
MW282.69 g/mol
LogP3.49
Rot. Bonds

About 6-chloropyrido[3,2-a]phenoxazin-5-one

6-chloropyrido[3,2-a]phenoxazin-5-one (PubChem CID 141389603) has the molecular formula C15H7ClN2O2 and a molecular weight of 282.69 g/mol. Its IUPAC name is 6-chloropyrido[3,2-a]phenoxazin-5-one.

Molecular Properties

Compound Name6-chloropyrido[3,2-a]phenoxazin-5-one
PubChem CID141389603
Molecular FormulaC15H7ClN2O2
Molecular Weight282.69 g/mol
Exact Mass282.02
IUPAC Name6-chloropyrido[3,2-a]phenoxazin-5-one
SMILESO=c1c(Cl)c2oc3ccccc3nc-2c2cccnc12
InChIInChI=1S/C15H7ClN2O2/c16-11-14(19)12-8(4-3-7-17-12)13-15(11)20-10-6-2-1-5-9(10)18-13/h1-7H
InChIKeyYBZJYSUZKKYTMB-UHFFFAOYSA-N
XLogP3.49
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-chloropyrazino[2,3-a]phenoxazin-5-one
CID 141389600
CID 23443898
CID 23443898
1,2,4-trichlorophenoxazin-3-one
CID 56606166
6-bromobenzo[a]phenoxazin-5-one
CID 12933237
9-[bis(2-methoxyethyl)amino]-6-chlorobenzo[a]phenoxazin-5-one
CID 18730942
22-(4-dibenzofuran-4-ylnaphthalen-1-yl)-6,9,21-triazapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 129303493
furo[3,2-b]pyridine-2-carbaldehyde
CID 642127
chromeno[2,3-b]pyridin-5-one
CID 659312
quinoxalino[2,3-f][1,7]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline
CID 118008961
chromeno[3,4-b]pyrazin-5-one
CID 691239
5-(1,3-benzoxazol-2-ylsulfanylmethyl)quinolin-8-ol
CID 4621437
11-(1,10-phenanthrolin-5-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 138512954

Frequently Asked Questions

What is the IUPAC name of 6-chloropyrido[3,2-a]phenoxazin-5-one?
The IUPAC name of 6-chloropyrido[3,2-a]phenoxazin-5-one (CID 141389603) is 6-chloropyrido[3,2-a]phenoxazin-5-one.
What is the SMILES notation for 6-chloropyrido[3,2-a]phenoxazin-5-one?
The canonical SMILES for 6-chloropyrido[3,2-a]phenoxazin-5-one is O=c1c(Cl)c2oc3ccccc3nc-2c2cccnc12.
What is the InChIKey of 6-chloropyrido[3,2-a]phenoxazin-5-one?
The InChIKey is YBZJYSUZKKYTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClN2O2/c16-11-14(19)12-8(4-3-7-17-12)13-15(11)20-10-6-2-1-5-9(10)18-13/h1-7H.
What are the key properties of 6-chloropyrido[3,2-a]phenoxazin-5-one?
6-chloropyrido[3,2-a]phenoxazin-5-one has a molecular weight of 282.69 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloropyrido[3,2-a]phenoxazin-5-one is sourced from PubChem (CID 141389603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).