N,N-diethyl-5-pyridin-2-yliminobenzo[a]phenoxazin-9-amine

C25H22N4O — CID 66870971

IUPACN,N-diethyl-5-pyridin-2-yliminobenzo[a]phenoxazin-9-amine
SMILESCCN(CC)c1ccc2nc3c4ccccc4c(=Nc4ccccn4)cc-3oc2c1
InChIInChI=1S/C25H22N4O/c1-3-29(4-2)17-12-13-20-22(15-17)30-23-16-21(27-24-11-7-8-14-26-24)18-9-5-6-10-19(18)25(23)28-20/h5-16H,3-4H2,1-2H3
InChIKeyJUGSKKNKWYVJAZ-UHFFFAOYSA-N
MW394.48 g/mol
LogP5.56
Rot. Bonds4

About N,N-diethyl-5-pyridin-2-yliminobenzo[a]phenoxazin-9-amine

N,N-diethyl-5-pyridin-2-yliminobenzo[a]phenoxazin-9-amine (PubChem CID 66870971) has the molecular formula C25H22N4O and a molecular weight of 394.48 g/mol. Its IUPAC name is N,N-diethyl-5-pyridin-2-yliminobenzo[a]phenoxazin-9-amine.

Molecular Properties

Compound NameN,N-diethyl-5-pyridin-2-yliminobenzo[a]phenoxazin-9-amine
PubChem CID66870971
Molecular FormulaC25H22N4O
Molecular Weight394.48 g/mol
Exact Mass394.18
IUPAC NameN,N-diethyl-5-pyridin-2-yliminobenzo[a]phenoxazin-9-amine
SMILESCCN(CC)c1ccc2nc3c4ccccc4c(=Nc4ccccn4)cc-3oc2c1
InChIInChI=1S/C25H22N4O/c1-3-29(4-2)17-12-13-20-22(15-17)30-23-16-21(27-24-11-7-8-14-26-24)18-9-5-6-10-19(18)25(23)28-20/h5-16H,3-4H2,1-2H3
InChIKeyJUGSKKNKWYVJAZ-UHFFFAOYSA-N
XLogP5.56
TPSA54.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.48
LogP ≤ 55.56
H-Bond Donors ≤ 50
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 N,N-diethyl-5-pyridin-2-yliminobenzo[a]phenoxazin-9-amine?
The IUPAC name of N,N-diethyl-5-pyridin-2-yliminobenzo[a]phenoxazin-9-amine (CID 66870971) is N,N-diethyl-5-pyridin-2-yliminobenzo[a]phenoxazin-9-amine.
What is the SMILES notation for N,N-diethyl-5-pyridin-2-yliminobenzo[a]phenoxazin-9-amine?
The canonical SMILES for N,N-diethyl-5-pyridin-2-yliminobenzo[a]phenoxazin-9-amine is CCN(CC)c1ccc2nc3c4ccccc4c(=Nc4ccccn4)cc-3oc2c1.
What is the InChIKey of N,N-diethyl-5-pyridin-2-yliminobenzo[a]phenoxazin-9-amine?
The InChIKey is JUGSKKNKWYVJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O/c1-3-29(4-2)17-12-13-20-22(15-17)30-23-16-21(27-24-11-7-8-14-26-24)18-9-5-6-10-19(18)25(23)28-20/h5-16H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-5-pyridin-2-yliminobenzo[a]phenoxazin-9-amine?
N,N-diethyl-5-pyridin-2-yliminobenzo[a]phenoxazin-9-amine has a molecular weight of 394.48 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-pyridin-2-yliminobenzo[a]phenoxazin-9-amine is sourced from PubChem (CID 66870971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).