8,10-dimethyl-1,5-dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid

C18H12N2O5 — CID 137286258

IUPAC8,10-dimethyl-1,5-dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid
SMILESCc1cc(C)c2oc3cc(=O)c4[nH]c(C(=O)O)cc(=O)c4c-3nc2c1
InChIInChI=1S/C18H12N2O5/c1-7-3-8(2)17-9(4-7)19-16-13(25-17)6-12(22)15-14(16)11(21)5-10(20-15)18(23)24/h3-6H,1-2H3,(H,20,21)(H,23,24)
InChIKeyHITVCFZFEFWATR-UHFFFAOYSA-N
MW336.30 g/mol
LogP2.45
Rot. Bonds1

About 8,10-dimethyl-1,5-dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid

8,10-dimethyl-1,5-dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid (PubChem CID 137286258) has the molecular formula C18H12N2O5 and a molecular weight of 336.30 g/mol. Its IUPAC name is 8,10-dimethyl-1,5-dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid.

Molecular Properties

Compound Name8,10-dimethyl-1,5-dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid
PubChem CID137286258
Molecular FormulaC18H12N2O5
Molecular Weight336.30 g/mol
Exact Mass336.07
IUPAC Name8,10-dimethyl-1,5-dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid
SMILESCc1cc(C)c2oc3cc(=O)c4[nH]c(C(=O)O)cc(=O)c4c-3nc2c1
InChIInChI=1S/C18H12N2O5/c1-7-3-8(2)17-9(4-7)19-16-13(25-17)6-12(22)15-14(16)11(21)5-10(20-15)18(23)24/h3-6H,1-2H3,(H,20,21)(H,23,24)
InChIKeyHITVCFZFEFWATR-UHFFFAOYSA-N
XLogP2.45
TPSA113.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 8,10-dimethyl-1,5-dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid?
The IUPAC name of 8,10-dimethyl-1,5-dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid (CID 137286258) is 8,10-dimethyl-1,5-dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid.
What is the SMILES notation for 8,10-dimethyl-1,5-dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid?
The canonical SMILES for 8,10-dimethyl-1,5-dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid is Cc1cc(C)c2oc3cc(=O)c4[nH]c(C(=O)O)cc(=O)c4c-3nc2c1.
What is the InChIKey of 8,10-dimethyl-1,5-dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid?
The InChIKey is HITVCFZFEFWATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O5/c1-7-3-8(2)17-9(4-7)19-16-13(25-17)6-12(22)15-14(16)11(21)5-10(20-15)18(23)24/h3-6H,1-2H3,(H,20,21)(H,23,24).
What are the key properties of 8,10-dimethyl-1,5-dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid?
8,10-dimethyl-1,5-dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid has a molecular weight of 336.30 g/mol, XLogP of 2.45, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-dimethyl-1,5-dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid is sourced from PubChem (CID 137286258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).