13-methyl-[1,4]benzoxazino[2,3-b]phenoxazine

C19H12N2O2 — CID 165359207

IUPAC13-methyl-[1,4]benzoxazino[2,3-b]phenoxazine
SMILESCc1c2c(cc3c1=Nc1ccccc1O3)=Nc1ccccc1O2
InChIInChI=1S/C19H12N2O2/c1-11-18-17(22-15-8-4-3-7-13(15)21-18)10-14-19(11)23-16-9-5-2-6-12(16)20-14/h2-10H,1H3
InChIKeyNWAVRKSQEAFTSM-UHFFFAOYSA-N
MW300.32 g/mol
LogP4.11
Rot. Bonds

About 13-methyl-[1,4]benzoxazino[2,3-b]phenoxazine

13-methyl-[1,4]benzoxazino[2,3-b]phenoxazine (PubChem CID 165359207) has the molecular formula C19H12N2O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 13-methyl-[1,4]benzoxazino[2,3-b]phenoxazine.

Molecular Properties

Compound Name13-methyl-[1,4]benzoxazino[2,3-b]phenoxazine
PubChem CID165359207
Molecular FormulaC19H12N2O2
Molecular Weight300.32 g/mol
Exact Mass300.09
IUPAC Name13-methyl-[1,4]benzoxazino[2,3-b]phenoxazine
SMILESCc1c2c(cc3c1=Nc1ccccc1O3)=Nc1ccccc1O2
InChIInChI=1S/C19H12N2O2/c1-11-18-17(22-15-8-4-3-7-13(15)21-18)10-14-19(11)23-16-9-5-2-6-12(16)20-14/h2-10H,1H3
InChIKeyNWAVRKSQEAFTSM-UHFFFAOYSA-N
XLogP4.11
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 13-methyl-[1,4]benzoxazino[2,3-b]phenoxazine?
The IUPAC name of 13-methyl-[1,4]benzoxazino[2,3-b]phenoxazine (CID 165359207) is 13-methyl-[1,4]benzoxazino[2,3-b]phenoxazine.
What is the SMILES notation for 13-methyl-[1,4]benzoxazino[2,3-b]phenoxazine?
The canonical SMILES for 13-methyl-[1,4]benzoxazino[2,3-b]phenoxazine is Cc1c2c(cc3c1=Nc1ccccc1O3)=Nc1ccccc1O2.
What is the InChIKey of 13-methyl-[1,4]benzoxazino[2,3-b]phenoxazine?
The InChIKey is NWAVRKSQEAFTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O2/c1-11-18-17(22-15-8-4-3-7-13(15)21-18)10-14-19(11)23-16-9-5-2-6-12(16)20-14/h2-10H,1H3.
What are the key properties of 13-methyl-[1,4]benzoxazino[2,3-b]phenoxazine?
13-methyl-[1,4]benzoxazino[2,3-b]phenoxazine has a molecular weight of 300.32 g/mol, XLogP of 4.11, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-[1,4]benzoxazino[2,3-b]phenoxazine is sourced from PubChem (CID 165359207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).