N-ethyl-5-pyridin-4-yliminobenzo[a]phenoxazin-9-amine

C23H18N4O — CID 90683184

IUPACN-ethyl-5-pyridin-4-yliminobenzo[a]phenoxazin-9-amine
SMILESCCNc1ccc2nc3c4ccccc4/c(=N/c4ccncc4)cc-3oc2c1
InChIInChI=1S/C23H18N4O/c1-2-25-16-7-8-19-21(13-16)28-22-14-20(26-15-9-11-24-12-10-15)17-5-3-4-6-18(17)23(22)27-19/h3-14,25H,2H2,1H3/b26-20+
InChIKeyRGYTVKKFBBKDEN-LHLOQNFPSA-N
MW366.42 g/mol
LogP5.14
Rot. Bonds3

About N-ethyl-5-pyridin-4-yliminobenzo[a]phenoxazin-9-amine

N-ethyl-5-pyridin-4-yliminobenzo[a]phenoxazin-9-amine (PubChem CID 90683184) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is N-ethyl-5-pyridin-4-yliminobenzo[a]phenoxazin-9-amine.

Molecular Properties

Compound NameN-ethyl-5-pyridin-4-yliminobenzo[a]phenoxazin-9-amine
PubChem CID90683184
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC NameN-ethyl-5-pyridin-4-yliminobenzo[a]phenoxazin-9-amine
SMILESCCNc1ccc2nc3c4ccccc4/c(=N/c4ccncc4)cc-3oc2c1
InChIInChI=1S/C23H18N4O/c1-2-25-16-7-8-19-21(13-16)28-22-14-20(26-15-9-11-24-12-10-15)17-5-3-4-6-18(17)23(22)27-19/h3-14,25H,2H2,1H3/b26-20+
InChIKeyRGYTVKKFBBKDEN-LHLOQNFPSA-N
XLogP5.14
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.14
H-Bond Donors ≤ 51
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-ethyl-5-pyridin-4-yliminobenzo[a]phenoxazin-9-amine?
The IUPAC name of N-ethyl-5-pyridin-4-yliminobenzo[a]phenoxazin-9-amine (CID 90683184) is N-ethyl-5-pyridin-4-yliminobenzo[a]phenoxazin-9-amine.
What is the SMILES notation for N-ethyl-5-pyridin-4-yliminobenzo[a]phenoxazin-9-amine?
The canonical SMILES for N-ethyl-5-pyridin-4-yliminobenzo[a]phenoxazin-9-amine is CCNc1ccc2nc3c4ccccc4/c(=N/c4ccncc4)cc-3oc2c1.
What is the InChIKey of N-ethyl-5-pyridin-4-yliminobenzo[a]phenoxazin-9-amine?
The InChIKey is RGYTVKKFBBKDEN-LHLOQNFPSA-N. The full InChI is InChI=1S/C23H18N4O/c1-2-25-16-7-8-19-21(13-16)28-22-14-20(26-15-9-11-24-12-10-15)17-5-3-4-6-18(17)23(22)27-19/h3-14,25H,2H2,1H3/b26-20+.
What are the key properties of N-ethyl-5-pyridin-4-yliminobenzo[a]phenoxazin-9-amine?
N-ethyl-5-pyridin-4-yliminobenzo[a]phenoxazin-9-amine has a molecular weight of 366.42 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-pyridin-4-yliminobenzo[a]phenoxazin-9-amine is sourced from PubChem (CID 90683184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).