9-N,9-N-diethyl-5-N-pyridin-4-yl-12H-benzo[a]phenoxazine-5,9-diamine

C25H24N4O — CID 71534306

IUPAC9-N,9-N-diethyl-5-N-pyridin-4-yl-12H-benzo[a]phenoxazine-5,9-diamine
SMILESCCN(CC)c1ccc2c(c1)Oc1cc(Nc3ccncc3)c3ccccc3c1N2
InChIInChI=1S/C25H24N4O/c1-3-29(4-2)18-9-10-21-23(15-18)30-24-16-22(27-17-11-13-26-14-12-17)19-7-5-6-8-20(19)25(24)28-21/h5-16,28H,3-4H2,1-2H3,(H,26,27)
InChIKeyQGKPPTXSYXVQIJ-UHFFFAOYSA-N
MW396.49 g/mol
LogP6.67
Rot. Bonds5

About 9-N,9-N-diethyl-5-N-pyridin-4-yl-12H-benzo[a]phenoxazine-5,9-diamine

9-N,9-N-diethyl-5-N-pyridin-4-yl-12H-benzo[a]phenoxazine-5,9-diamine (PubChem CID 71534306) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is 9-N,9-N-diethyl-5-N-pyridin-4-yl-12H-benzo[a]phenoxazine-5,9-diamine.

Molecular Properties

Compound Name9-N,9-N-diethyl-5-N-pyridin-4-yl-12H-benzo[a]phenoxazine-5,9-diamine
PubChem CID71534306
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name9-N,9-N-diethyl-5-N-pyridin-4-yl-12H-benzo[a]phenoxazine-5,9-diamine
SMILESCCN(CC)c1ccc2c(c1)Oc1cc(Nc3ccncc3)c3ccccc3c1N2
InChIInChI=1S/C25H24N4O/c1-3-29(4-2)18-9-10-21-23(15-18)30-24-16-22(27-17-11-13-26-14-12-17)19-7-5-6-8-20(19)25(24)28-21/h5-16,28H,3-4H2,1-2H3,(H,26,27)
InChIKeyQGKPPTXSYXVQIJ-UHFFFAOYSA-N
XLogP6.67
TPSA49.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 56.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N,5-triethyl-12H-benzo[a]phenoxazin-9-amine
CID 70022244
CID 173387135
CID 173387135
1-N,1-N-dibutyl-7-N,7-N-diethyl-10H-phenoxazine-1,7-diamine
CID 86626952
6-N,6-N-diethyl-1-N-phenyl-2-(trifluoromethyl)-9H-xanthene-1,6-diamine
CID 152581853
3-N,3-N,7-N,7-N-tetraphenyl-10H-phenoxazine-3,7-diamine
CID 118518276
2'-anilino-6'-(diethylamino)-3'-iodospiro[2-benzofuran-3,9'-xanthene]-1-one
CID 140525779
9-N-(2-chlorophenyl)-3-N,3-N,6-N,6-N-tetraethyl-9H-xanthene-3,6,9-triamine
CID 57199338
(3S)-2'-anilino-6'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 86306490
N,N-diethyl-4-[[4-(pyridin-4-yldiazenyl)phenyl]diazenyl]aniline
CID 153313292
N,N-diethyl-1H-indazol-3-amine
CID 174534127
N,N-diethyl-10H-phenothiazin-3-amine
CID 68755312
2'-(4-chloroanilino)-6'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 15597022

Frequently Asked Questions

What is the IUPAC name of 9-N,9-N-diethyl-5-N-pyridin-4-yl-12H-benzo[a]phenoxazine-5,9-diamine?
The IUPAC name of 9-N,9-N-diethyl-5-N-pyridin-4-yl-12H-benzo[a]phenoxazine-5,9-diamine (CID 71534306) is 9-N,9-N-diethyl-5-N-pyridin-4-yl-12H-benzo[a]phenoxazine-5,9-diamine.
What is the SMILES notation for 9-N,9-N-diethyl-5-N-pyridin-4-yl-12H-benzo[a]phenoxazine-5,9-diamine?
The canonical SMILES for 9-N,9-N-diethyl-5-N-pyridin-4-yl-12H-benzo[a]phenoxazine-5,9-diamine is CCN(CC)c1ccc2c(c1)Oc1cc(Nc3ccncc3)c3ccccc3c1N2.
What is the InChIKey of 9-N,9-N-diethyl-5-N-pyridin-4-yl-12H-benzo[a]phenoxazine-5,9-diamine?
The InChIKey is QGKPPTXSYXVQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c1-3-29(4-2)18-9-10-21-23(15-18)30-24-16-22(27-17-11-13-26-14-12-17)19-7-5-6-8-20(19)25(24)28-21/h5-16,28H,3-4H2,1-2H3,(H,26,27).
What are the key properties of 9-N,9-N-diethyl-5-N-pyridin-4-yl-12H-benzo[a]phenoxazine-5,9-diamine?
9-N,9-N-diethyl-5-N-pyridin-4-yl-12H-benzo[a]phenoxazine-5,9-diamine has a molecular weight of 396.49 g/mol, XLogP of 6.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,9-N-diethyl-5-N-pyridin-4-yl-12H-benzo[a]phenoxazine-5,9-diamine is sourced from PubChem (CID 71534306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).