7-fluoro-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-4-phenyl-3H-1,4-benzoxazine

C26H28FN3O2 — CID 67855342

IUPAC7-fluoro-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-4-phenyl-3H-1,4-benzoxazine
SMILESCOc1ccccc1N1CCN(C2(C)CN(c3ccccc3)c3ccc(F)cc3O2)CC1
InChIInChI=1S/C26H28FN3O2/c1-26(29-16-14-28(15-17-29)22-10-6-7-11-24(22)31-2)19-30(21-8-4-3-5-9-21)23-13-12-20(27)18-25(23)32-26/h3-13,18H,14-17,19H2,1-2H3
InChIKeyYWNPJSDRLFFQGY-UHFFFAOYSA-N
MW433.53 g/mol
LogP4.90
Rot. Bonds4

About 7-fluoro-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-4-phenyl-3H-1,4-benzoxazine

7-fluoro-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-4-phenyl-3H-1,4-benzoxazine (PubChem CID 67855342) has the molecular formula C26H28FN3O2 and a molecular weight of 433.53 g/mol. Its IUPAC name is 7-fluoro-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-4-phenyl-3H-1,4-benzoxazine.

Molecular Properties

Compound Name7-fluoro-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-4-phenyl-3H-1,4-benzoxazine
PubChem CID67855342
Molecular FormulaC26H28FN3O2
Molecular Weight433.53 g/mol
Exact Mass433.22
IUPAC Name7-fluoro-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-4-phenyl-3H-1,4-benzoxazine
SMILESCOc1ccccc1N1CCN(C2(C)CN(c3ccccc3)c3ccc(F)cc3O2)CC1
InChIInChI=1S/C26H28FN3O2/c1-26(29-16-14-28(15-17-29)22-10-6-7-11-24(22)31-2)19-30(21-8-4-3-5-9-21)23-13-12-20(27)18-25(23)32-26/h3-13,18H,14-17,19H2,1-2H3
InChIKeyYWNPJSDRLFFQGY-UHFFFAOYSA-N
XLogP4.90
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-fluoro-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-4-phenyl-3H-1,4-benzoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 792533
2-fluoro-5-[4-(2-methoxyphenyl)piperazin-1-yl]benzoic acid
CID 110452691
1-(4-fluoro-2-methoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1085530
4-[4-(4-fluorophenyl)piperazin-1-yl]-3-methoxyaniline
CID 91684405
N-(2,4-difluorophenyl)-4-(2-methoxyphenyl)piperazine-1-carbothioamide
CID 2204665
1-(4-fluoro-2-methoxyphenyl)-4-pyridin-2-ylpiperazine
CID 133315766
6-fluoro-3-(2-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine
CID 712131
1-(5-fluoro-1H-indol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione
CID 113208075
6-fluoro-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121083473
16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 86134682
(3R)-1-(2,4-difluorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2107844
1-[5-(4-fluorophenyl)-1H-pyrrol-2-yl]-4-(2-methoxyphenyl)-2,2-dimethylpiperazine
CID 70395500

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-4-phenyl-3H-1,4-benzoxazine?
The IUPAC name of 7-fluoro-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-4-phenyl-3H-1,4-benzoxazine (CID 67855342) is 7-fluoro-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-4-phenyl-3H-1,4-benzoxazine.
What is the SMILES notation for 7-fluoro-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-4-phenyl-3H-1,4-benzoxazine?
The canonical SMILES for 7-fluoro-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-4-phenyl-3H-1,4-benzoxazine is COc1ccccc1N1CCN(C2(C)CN(c3ccccc3)c3ccc(F)cc3O2)CC1.
What is the InChIKey of 7-fluoro-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-4-phenyl-3H-1,4-benzoxazine?
The InChIKey is YWNPJSDRLFFQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O2/c1-26(29-16-14-28(15-17-29)22-10-6-7-11-24(22)31-2)19-30(21-8-4-3-5-9-21)23-13-12-20(27)18-25(23)32-26/h3-13,18H,14-17,19H2,1-2H3.
What are the key properties of 7-fluoro-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-4-phenyl-3H-1,4-benzoxazine?
7-fluoro-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-4-phenyl-3H-1,4-benzoxazine has a molecular weight of 433.53 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-4-phenyl-3H-1,4-benzoxazine is sourced from PubChem (CID 67855342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).