10-[3-[2-(aziridin-2-yl)-1,2-dihydropyridin-6-yl]phenyl]-3-methyl-3,4-dihydrophenoxazine

C26H25N3O — CID 146538619

IUPAC10-[3-[2-(aziridin-2-yl)-1,2-dihydropyridin-6-yl]phenyl]-3-methyl-3,4-dihydrophenoxazine
SMILESCC1C=CC2=C(C1)Oc1ccccc1N2c1cccc(C2=CC=CC(C3CN3)N2)c1
InChIInChI=1S/C26H25N3O/c1-17-12-13-24-26(14-17)30-25-11-3-2-10-23(25)29(24)19-7-4-6-18(15-19)20-8-5-9-21(28-20)22-16-27-22/h2-13,15,17,21-22,27-28H,14,16H2,1H3
InChIKeyZPUYUCLGSRGIME-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.87
Rot. Bonds3

About 10-[3-[2-(aziridin-2-yl)-1,2-dihydropyridin-6-yl]phenyl]-3-methyl-3,4-dihydrophenoxazine

10-[3-[2-(aziridin-2-yl)-1,2-dihydropyridin-6-yl]phenyl]-3-methyl-3,4-dihydrophenoxazine (PubChem CID 146538619) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is 10-[3-[2-(aziridin-2-yl)-1,2-dihydropyridin-6-yl]phenyl]-3-methyl-3,4-dihydrophenoxazine.

Molecular Properties

Compound Name10-[3-[2-(aziridin-2-yl)-1,2-dihydropyridin-6-yl]phenyl]-3-methyl-3,4-dihydrophenoxazine
PubChem CID146538619
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC Name10-[3-[2-(aziridin-2-yl)-1,2-dihydropyridin-6-yl]phenyl]-3-methyl-3,4-dihydrophenoxazine
SMILESCC1C=CC2=C(C1)Oc1ccccc1N2c1cccc(C2=CC=CC(C3CN3)N2)c1
InChIInChI=1S/C26H25N3O/c1-17-12-13-24-26(14-17)30-25-11-3-2-10-23(25)29(24)19-7-4-6-18(15-19)20-8-5-9-21(28-20)22-16-27-22/h2-13,15,17,21-22,27-28H,14,16H2,1H3
InChIKeyZPUYUCLGSRGIME-UHFFFAOYSA-N
XLogP4.87
TPSA46.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

10-(3-methylphenyl)-3,4-dihydrophenoxazine
CID 145413862
N,N-bis[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-phenylaniline
CID 122425451
N-[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 122425440
10-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazin-2-yl)phenyl]-3,4-dihydrophenoxazine
CID 170424854
CID 123774318
CID 123774318
2-(3-phenoxazin-10-ylphenyl)-5,6-diphenylisoindole-1,3-dione
CID 130395524
10-[3-[2,8-dimethyl-6-(3-phenoxazin-10-ylphenyl)dibenzofuran-4-yl]phenyl]phenoxazine
CID 139312041
10-[4-[(E)-2-[7'-(3,4-dihydrophenoxazin-10-yl)-1'-methylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]phenyl]phenoxazine
CID 89070802
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenoxazin-10-ylphenoxazine
CID 163735703
2-phenyl-9-oxa-2,16-diazatetracyclo[15.3.1.03,8.010,15]henicosa-1(20),3,5,7,10,12,14,17(21),18-nonaene
CID 170666880
3-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)phenoxazine
CID 134475961
ethane;10-phenylphenoxazine
CID 123756019

Frequently Asked Questions

What is the IUPAC name of 10-[3-[2-(aziridin-2-yl)-1,2-dihydropyridin-6-yl]phenyl]-3-methyl-3,4-dihydrophenoxazine?
The IUPAC name of 10-[3-[2-(aziridin-2-yl)-1,2-dihydropyridin-6-yl]phenyl]-3-methyl-3,4-dihydrophenoxazine (CID 146538619) is 10-[3-[2-(aziridin-2-yl)-1,2-dihydropyridin-6-yl]phenyl]-3-methyl-3,4-dihydrophenoxazine.
What is the SMILES notation for 10-[3-[2-(aziridin-2-yl)-1,2-dihydropyridin-6-yl]phenyl]-3-methyl-3,4-dihydrophenoxazine?
The canonical SMILES for 10-[3-[2-(aziridin-2-yl)-1,2-dihydropyridin-6-yl]phenyl]-3-methyl-3,4-dihydrophenoxazine is CC1C=CC2=C(C1)Oc1ccccc1N2c1cccc(C2=CC=CC(C3CN3)N2)c1.
What is the InChIKey of 10-[3-[2-(aziridin-2-yl)-1,2-dihydropyridin-6-yl]phenyl]-3-methyl-3,4-dihydrophenoxazine?
The InChIKey is ZPUYUCLGSRGIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O/c1-17-12-13-24-26(14-17)30-25-11-3-2-10-23(25)29(24)19-7-4-6-18(15-19)20-8-5-9-21(28-20)22-16-27-22/h2-13,15,17,21-22,27-28H,14,16H2,1H3.
What are the key properties of 10-[3-[2-(aziridin-2-yl)-1,2-dihydropyridin-6-yl]phenyl]-3-methyl-3,4-dihydrophenoxazine?
10-[3-[2-(aziridin-2-yl)-1,2-dihydropyridin-6-yl]phenyl]-3-methyl-3,4-dihydrophenoxazine has a molecular weight of 395.51 g/mol, XLogP of 4.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-[2-(aziridin-2-yl)-1,2-dihydropyridin-6-yl]phenyl]-3-methyl-3,4-dihydrophenoxazine is sourced from PubChem (CID 146538619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).